SCHEMBL12347386

SCHEMBL12347386

CCN1CCCC1CN(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIM1 P11309 1/20 0.35
DRD2 P14416 1/20 0.35
ACHE P22303 1/20 0.35
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL14509624 1.00 SIGMAR1 (0.47) SIGMAR1ALDH1A1HTTL3MBTL1TSHR
SCHEMBL8434986 0.94 SIGMAR1 (0.43) SIGMAR1ALDH1A1HTTL3MBTL1TSHR
SCHEMBL25959208 0.87 SIGMAR1 (0.36) SIGMAR1ALDH1A1HTTL3MBTL1
SCHEMBL13811411 0.84 S1PR1 (0.39) SIGMAR1HTTTSHRKMT2ADRD2
SCHEMBL13355763 0.84 SIGMAR1 (0.51) SIGMAR1ALDH1A1HTTL3MBTL1TSHR
SCHEMBL9036144 0.82 SIGMAR1 (0.34) SIGMAR1
SCHEMBL24688442 0.81 SIGMAR1 (0.56) SIGMAR1ALDH1A1HTTL3MBTL1TSHR
SCHEMBL14454183 0.81 L3MBTL1 (0.44) SIGMAR1ALDH1A1HTTL3MBTL1TSHR
SCHEMBL15471192 0.81 SIGMAR1 (0.43) SIGMAR1ALDH1A1HTTL3MBTL1TSHR
SCHEMBL15473811 0.80 SIGMAR1 (0.36) SIGMAR1HTTS1PR4S1PR1S1PR3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328219-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-02-28 EP disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
EP-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 EP disclosed
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 EP disclosed
EP-3143015-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2019-02-20 EP disclosed
US-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 US disclosed
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 US disclosed
US-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-06-15 US disclosed
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 US disclosed
WO-2015195228-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2015-12-23 WO disclosed
WO-2015175632-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2015-11-19 WO disclosed
EP-2354126-A1 Heteroaryl sulfonamides and CCR2 ChemoCentryx, Inc. (US) 2011-08-10 EP disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US disclosed
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (5 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-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 SIGMAR1 3422/4885ALDH1A1 4299/4885HTT 958/4885
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B SIGMAR1 4777/4885ALDH1A1 570/4885HTT 4784/4885
US-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL SIGMAR1 2900/4885ALDH1A1 725/4885HTT 4578/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 SIGMAR1 3422/4885ALDH1A1 4299/4885HTT 958/4885
US-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 SIGMAR1 3422/4885ALDH1A1 4299/4885HTT 958/4885

“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.