SCHEMBL21892893

SCHEMBL21892893

CSC(C)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GOPC Q9HD26 1/20 0.50
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
CYP19A1 P11511 2/20 0.44
GAA P10253 1/20 0.43
MPO P05164 1/20 0.43
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNN4 O15554 1/20 0.41
KCNA5 P22460 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL23773705 1.00 CFTR (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL2569576 0.80 CFTR (0.56) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL22778846 0.79 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL10236 0.78
SCHEMBL10446411 0.78 CFTR (0.58) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL30391667 0.78
SCHEMBL23969984 0.78 CFTR (0.59) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL21424550 0.77 CYP19A1 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL22811521 0.77 CYP19A1 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL4915893 0.77 SMN1; SMN2 (0.59) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11124496-B2 Imidazolidine compounds ELI LILLY AND COMPANY (US) 2021-09-21 US disclosed
US-20210253565-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 US disclosed
US-20210061785-A1 IMIDAZOLIDINE COMPOUNDS ELI LILLY AND COMPANY 2021-03-04 US disclosed
US-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 US disclosed
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2020-03-19 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 (7 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-20210253565-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LIPC CFTR 3365/4885SLC6A2 2903/4885SLC6A4 2460/4885
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CFTR 43/4885SLC6A2 1936/4885SLC6A4 2344/4885
US-20210061785-A1 IMIDAZOLIDINE COMPOUNDS SLC10A1, SLC10A2, CPT1A CFTR 184/4885SLC6A2 1375/4885SLC6A4 1826/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA CFTR 1900/4885SLC6A2 4242/4885SLC6A4 4660/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B CFTR 152/4885SLC6A2 1459/4885SLC6A4 1835/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 CFTR 313/4885SLC6A2 4742/4885SLC6A4 4745/4885
US-11124496-B2 Imidazolidine compounds SLC10A1, SLC10A2, CPT1A CFTR 184/4885SLC6A2 1375/4885SLC6A4 1826/4885

“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.