SCHEMBL523503

SCHEMBL523503

CN(C)CCN(C)c1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
MEN1 O00255 1/20 0.32
TNNI3 P19429 1/20 0.32
TNNT2 P45379 1/20 0.32
TNNC1 P63316 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 3/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
NOS1 P29475 1/20 0.31
KCNMA1 Q12791 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7584866 0.87 MAPT (0.36) MAPTCYP2D6CYP2C19HTR2AHRH1
SCHEMBL2444957 0.82 MAPT (0.38) MAPT
SCHEMBL7871711 0.80 MAPT (0.35) MEN1KMT2AMAPT
SCHEMBL2440172 0.80 L3MBTL1 (0.42) MEN1KMT2AMAPT
SCHEMBL4767465 0.78 MAPT (0.51) MAPT
SCHEMBL2037646 0.78 ALDH1A1 (0.43) MEN1KMT2AMAPTCYP2D6CYP2C19
SCHEMBL3040413 0.77 BRAF (0.34) MEN1KMT2A
SCHEMBL11331244 0.77 ALDH1A1 (0.38) MEN1KMT2ATAAR1MAPTCYP2C19
SCHEMBL28320582 0.77 PRMT1 (0.39) NOS1
SCHEMBL27473988 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356122-B1 PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2019-03-20 EP claimed
EP-3024826-B1 NEW ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2018-11-14 EP claimed
US-20120322793-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 US claimed
US-8278297-B2 Protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US claimed
US-20120028966-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US claimed
EP-2356122-A1 PROTEIN KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2011-08-17 EP claimed
WO-2010008454-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-21 WO claimed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO claimed
EP-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 EP claimed
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 US claimed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 EP claimed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 EP claimed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
US-8618106-B2 Protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-31 US disclosed
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 US disclosed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 WO disclosed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 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 (3 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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE ADK, AHCY, IAPP HRH3 1160/4885MEN1 1636/4885TNNI3 3898/4885
US-20120322793-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HRH3 4055/4885MEN1 2111/4885TNNI3 667/4885
US-20120028966-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HRH3 4055/4885MEN1 2111/4885TNNI3 667/4885

“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.