SCHEMBL21770565

SCHEMBL21770565

CCCC(C)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TBXAS1 P24557 1/20 0.43
KCNN4 O15554 1/20 0.42
KCNA5 P22460 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP19A1 P11511 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11337414 1.00 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL24919838 1.00 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL23689571 1.00 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL16774716 0.98 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL24016025 0.89 L3MBTL1 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL15417856 0.89 L3MBTL1 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL18737228 0.87 L3MBTL1 (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL18638771 0.86 L3MBTL1 (0.49) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL21005661 0.86 L3MBTL1 (0.49) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL28166486 0.86 L3MBTL1 (0.49) CFTRSLC6A2SLC6A4SLC6A3GOPC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-07-04 US disclosed
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-11-30 US disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 US disclosed
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 US disclosed
US-11744826-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2023-09-05 US disclosed
US-11724999-B2 Inhibitors of RAS-effector protein interactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-08-15 US disclosed
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-04-27 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
WO-2023003862-A1 CXCR4 MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2023-01-26 WO disclosed
US-20190055194-A1 Azetidinimines as Carbapenemases Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-02-21 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 US disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 US disclosed
US-9670157-B2 Benzylamine derivatives KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-06-06 US disclosed
US-20170137430-A1 Nuclear Transport Modulators And Uses Thereof KARYOPHARM THERAPEUTICS INC (US) 2017-05-18 US disclosed
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 EP disclosed
US-9428490-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2016-08-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CFTR 43/4885SLC6A2 1936/4885SLC6A4 2344/4885
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR CFTR 2905/4885SLC6A2 4125/4885SLC6A4 4099/4885
US-20170137430-A1 Nuclear Transport Modulators And Uses Thereof XPO1, XPO5, XPOT CFTR 1221/4885SLC6A2 606/4885SLC6A4 1169/4885
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR CFTR 2905/4885SLC6A2 4125/4885SLC6A4 4099/4885
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CFTR 183/4885SLC6A2 2036/4885SLC6A4 1946/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 CFTR 4528/4885SLC6A2 1390/4885SLC6A4 1517/4885
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR CFTR 2905/4885SLC6A2 4125/4885SLC6A4 4099/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 CFTR 1050/4885SLC6A2 2638/4885SLC6A4 1805/4885
US-11724999-B2 Inhibitors of RAS-effector protein interactions KRAS, NRAS, HRAS CFTR 456/4885SLC6A2 4804/4885SLC6A4 4779/4885
US-11744826-B2 Compounds and methods of treating retinal degeneration ALDH1A2, PDE6D, PDE6C CFTR 537/4885SLC6A2 1654/4885SLC6A4 2606/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 CFTR 4034/4885SLC6A2 4323/4885SLC6A4 4422/4885
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF AADAT, SLC1A2, SLC1A1 CFTR 3012/4885SLC6A2 48/4885SLC6A4 37/4885
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF RIPK1, RIPK2, RIPK4 CFTR 976/4885SLC6A2 4880/4885SLC6A4 4873/4885
US-20190055194-A1 Azetidinimines as Carbapenemases Inhibitors OXA1L, QDPR, PADI1 CFTR 962/4885SLC6A2 4561/4885SLC6A4 4819/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.