SCHEMBL3345985

SCHEMBL3345985

CCn1ccc2ccc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
HTR2C P28335 8/20 0.44
HTR2A P28223 7/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
HTR6 P50406 1/20 0.42
RAD52 P43351 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGER3 P43115 1/20 0.38
MTNR1A P48039 2/20 0.38

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
SCHEMBL8648989 0.85 EGFR (0.48) PRKCIHTR2CHTR2AHTR6MTNR1A
SCHEMBL31265088 0.85 PRKCI (0.58) PRKCIHTR2CHTR2AKDM4EALDH1A1
SCHEMBL218056 0.85 PRKCI (0.58) PRKCIHTR2CHTR2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7361184 0.83 PRKCI (0.56) PRKCIHTR2CHTR2AKDM4EALDH1A1
SCHEMBL27812843 0.82 CDK4 (0.44) PRKCIHTR2CHTR2AMAPTHTR6
SCHEMBL15712674 0.80 HTR2C (0.55) PRKCIHTR2CHTR2ACYP1A2CYP3A4
SCHEMBL23413236 0.79 KMO (0.44) PRKCIHTR2CHTR2AHTR6BRPF1
SCHEMBL29780573 0.79 KMO (0.44) PRKCIHTR2CHTR2AHTR6BRPF1
SCHEMBL20563170 0.79 TAAR1 (0.41) HTR2CHTR2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL28207077 0.79 HTR2C (0.40) PRKCIHTR2CHTR2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2020-05-05 US disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
CN-104870422-B Amine derivative or its salt 富士胶片富山化学株式会社 2019-03-15 CN disclosed
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2018-03-15 US disclosed
US-9850227-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2017-12-26 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
WO-2012115478-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 WO disclosed
WO-2012115479-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 WO disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-7629319-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 US disclosed
CN-101001837-A Indole derivatives comprising an acetylene group as PPAR activators HOFFMANN LA ROCHE (CH) 2007-07-18 CN disclosed
US-6936607-B2 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNOBECK A/S (DK) 2005-08-30 US disclosed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
WO-2004034967-A2 2,4,6-TRIAMINOPYRIMIDINES FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-04-29 WO disclosed
US-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNDBECK A/S (DK) 2004-04-29 US disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO 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-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 PRKCI 3316/4885HTR2C 454/4885HTR2A 416/4885
US-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety GALR3, GALR2, GALR1 PRKCI 4336/4885HTR2C 66/4885HTR2A 94/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 PRKCI 3316/4885HTR2C 454/4885HTR2A 416/4885

“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.