SCHEMBL526056

SCHEMBL526056

c1cnc2ccnc(N3CCNCC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.65
ADRB2 P07550 1/20 0.60
NCF1 P14598 1/20 0.60
EPHX2 P34913 1/20 0.55
CYP3A4 P08684 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL29623594 1.00 HTR2C (0.65) HTR2CADRB2NCF1EPHX2CYP3A4
SCHEMBL3690249 0.81 HRH4 (0.65) CYP3A4KDM4ECYP1A2TSHR
SCHEMBL22050038 0.81 PTK2 (0.65) CYP3A4KDM4ECYP1A2TSHR
SCHEMBL30040877 0.79 HTR2C (1.00) HTR2CADRB2NCF1KDM4ECYP1A2
SCHEMBL2076366 0.79 HTR2C (1.00) HTR2CADRB2NCF1KDM4ECYP1A2
SCHEMBL1029331 0.79 PTK2 (0.67) HTR2CADRB2NCF1CYP3A4KDM4E
SCHEMBL29936658 0.79 PTK2 (0.67) HTR2CADRB2NCF1CYP3A4KDM4E
SCHEMBL17844894 0.78 AKT2 (0.47) HTR2CKDM4E
SCHEMBL3689345 0.78 PRKD1 (0.52) HTR2CADRB2NCF1EPHX2CYP3A4
Hydrochloric Acid SCHEMBL1532881 0.77 HTR2C (0.97) HTR2CADRB2NCF1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed
CN-108026080-B Pyrazolyl-substituted heteroaryl compounds and their use as medicaments 勃林格殷格翰国际有限公司 2021-06-11 CN disclosed
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
CN-110713489-A Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2020-01-21 CN disclosed
CN-106255689-B Heteroaryl SYK Inhibitors 勃林格殷格翰国际有限公司 2019-09-17 CN disclosed
CN-110183440-A Heteroaryl SYK inhibitor 勃林格殷格翰国际有限公司 2019-08-30 CN disclosed
EP-3119765-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3347353-B1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3119772-B1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 EP disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO disclosed
US-20030229090-A1 1,6 Naphthyridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-11 US disclosed
US-20030158195-A1 1,6 naphthyridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
WO-2003057695-A1 1,6 NAPHTHYRIDINES USEFUL AS INHIBITORS OF SYK KINASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-07-17 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 (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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A HTR2C 14/4885ADRB2 61/4885NCF1 1250/4885
US-20030229090-A1 1,6 Naphthyridines useful as inhibitors of SYK kinase SYK, IRAK1, BTK HTR2C 3171/4885ADRB2 2101/4885NCF1 169/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 HTR2C 897/4885ADRB2 1410/4885NCF1 161/4885
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX HTR2C 109/4885ADRB2 456/4885NCF1 3910/4885
US-20030158195-A1 1,6 naphthyridines useful as inhibitors of SYK kinase SYK, IRAK1, BTK HTR2C 3171/4885ADRB2 2101/4885NCF1 169/4885

“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.