SCHEMBL450877

SCHEMBL450877

NCCNc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.59
CXCR4 P61073 1/20 0.57
FABP1 P07148 1/20 0.55
FABP6 P51161 1/20 0.55
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
FERMT2 Q96AC1 1/20 0.47
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK10 P53779 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
FDPS P14324 1/20 0.46
GAA P10253 2/20 0.46
HRH1 P35367 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45

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
Hydrochloric Acid SCHEMBL7518301 0.98 CYP1A2 (0.59) CYP1A2CYP2C19CXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL5270311 0.98 CYP1A2 (0.59) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL8085273 0.89 CYP1A2 (0.51) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL1831590 0.88 CYP1A2 (0.58) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL3265804 0.87 CYP1A2 (0.70) CYP1A2CYP2C19CXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL6300353 0.86 CYP1A2 (0.56) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL1831059 0.86 CYP1A2 (0.56) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL10887684 0.85 CYP1A2 (0.54) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL4715114 0.85 CYP1A2 (0.54) CYP1A2CYP2C19CXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL6302628 0.85 CYP1A2 (0.54) CYP1A2CYP2C19CXCR4FABP1FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876688-B Preparation method of nano micelle suitable for tandem catalysis 浙江理工大学 2022-10-28 CN claimed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP claimed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 EP claimed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US claimed
US-20150313887-A1 INDOLES GLAXOSMITHKLINE LLC 2015-11-05 US claimed
US-8975291-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-03-10 US claimed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP claimed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 EP claimed
EP-2773754-A1 METHOD OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-09-10 EP claimed
CN-104039956-A Method of treatment GLAXOSMITHKLINE IP NO 2 LTD 2014-09-10 CN claimed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO claimed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO claimed
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-10-22 US claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP claimed
US-7163941-B2 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-16 US claimed
EP-1615921-A2 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP claimed
US-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (DE) 2005-06-16 US claimed
WO-2004085436-A2 PYRIDO[2,3-D]PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO claimed
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO claimed

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

For each of this compound's patents that has machine-readable text (4 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-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents LCK, TYRO3, ABL1 CYP1A2 830/4885CYP2C19 322/4885CXCR4 2241/4885
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS MAPK15, MOK, MAPK14 CYP1A2 2113/4885CYP2C19 963/4885CXCR4 2392/4885
US-20150313887-A1 INDOLES IDO1, IDO2, INMT CYP1A2 53/4885CYP2C19 106/4885CXCR4 3598/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 CYP1A2 413/4885CYP2C19 1078/4885CXCR4 184/4885

“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.