SCHEMBL526057

SCHEMBL526057

c1cc2nc(C3CNCCN3)ccc2cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.38
ROCK1 Q13464 2/20 0.36
IKBKB O14920 2/20 0.33
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNA7 P36544 2/20 0.33
MEN1 O00255 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
LATS1 O95835 1/20 0.32
PARP1 P09874 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 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
SCHEMBL9733257 0.80 CYP3A4 (0.41) MEN1CYP2D6CYP2C19KMT2ASMN1; SMN2
SCHEMBL27608178 0.75 BACE1 (0.41) KMT2APARP1TLR9TLR8TLR7
SCHEMBL27627374 0.75 BACE1 (0.41) ROCK1CYP2A6PARP1TLR9TLR8
SCHEMBL28752901 0.75 HRH3 (0.37) KMT2APARP1HTR2AHTR2CHTR2B
SCHEMBL7340818 0.71 NISCH (0.36) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL9733150 0.70 ALDH1A1 (0.51) CYP2C19CYP1A2
SCHEMBL6233129 0.70 CYP1A2 (0.41) MEN1KMT2ASMN1; SMN2CYP1A2PARP1
SCHEMBL27627281 0.70 SCN9A (0.40) SMN1; SMN2CYP1A2CYP2C9HTR2C
SCHEMBL6644141 0.69 TLR9 (0.38) ROCK1PARP1TLR9TLR8TLR7
SCHEMBL9317927 0.69 BACE1 (0.43) PARP1TLR9TLR8TLR7

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 60 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-3119766-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-7705151-B2 1,6 Naphthridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-7678911-B2 1,6 naphthyridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
WO-2010015520-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 WO disclosed
WO-2010015518-A2 4-DIMETHYLAMINO-PHENYL-SUBSTITUTED NAPHTHYRIDINES, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNTIONAL GMBH (DE) 2010-02-11 WO disclosed
US-20090171089-A1 1,6 NAPHTHRIDINES USEFUL AS INHIBITORS OF SYK KINASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20080114024-A1 1,6 NAPHTHYRIDINES USEFUL AS INHIBITORS OF SYK KINASE CYWIN CHARLES L 2008-05-15 US disclosed
US-7321041-B2 1,6 Naphthyridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-01-22 US 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-20030229090-A1 1,6 Naphthyridines useful as inhibitors of SYK kinase SYK, IRAK1, BTK PRKCZ 120/4885ROCK1 71/4885IKBKB 40/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 PRKCZ 193/4885ROCK1 90/4885IKBKB 50/4885
US-20080114024-A1 1,6 NAPHTHYRIDINES USEFUL AS INHIBITORS OF SYK KINASE SYK, IRAK1, IRAK3 PRKCZ 175/4885ROCK1 77/4885IKBKB 66/4885
US-20090171089-A1 1,6 NAPHTHRIDINES USEFUL AS INHIBITORS OF SYK KINASE SYK, IRAK1, IRAK3 PRKCZ 209/4885ROCK1 131/4885IKBKB 73/4885
US-20030158195-A1 1,6 naphthyridines useful as inhibitors of SYK kinase SYK, IRAK1, BTK PRKCZ 120/4885ROCK1 71/4885IKBKB 40/4885

“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.