SCHEMBL3591796

SCHEMBL3591796

N#Cc1cccc(-c2ccc(NN)nn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
IDO1 P14902 2/20 0.47
CLK4 Q9HAZ1 2/20 0.45
KDM1A O60341 1/20 0.45
XDH P47989 1/20 0.45
GABRG2 P18507 6/20 0.44
GABRB3 P28472 6/20 0.44
GABRA5 P31644 6/20 0.44
GABRA3 P34903 6/20 0.44
GABRA1 P14867 1/20 0.44
NOTUM Q6P988 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM5 P41594 1/20 0.43
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL12101270 0.78 ALDH1A1 (0.45) ALDH1A1
SCHEMBL1133807 0.76 IDO1 (0.50) MAOBIDO1CLK4KDM1AXDH
SCHEMBL10983245 0.76 GAA (0.47) MAOBIDO1KDM1ANOTUMALDH1A1
SCHEMBL10983263 0.76 RAB9A (0.43) IDO1KDM1AXDHALDH1A1HSD17B10
SCHEMBL11383906 0.76 MEN1 (0.54) MAOBIDO1NOTUMALDH1A1
SCHEMBL12288286 0.76 VNN1 (0.47) MAOBIDO1CLK4GABRG2GABRB3
SCHEMBL1752770 0.75 MAPT (0.47) USP2ALDH1A1
SCHEMBL18470258 0.73 GABRG2 (0.42) MAOBCLK4KDM1AGABRG2GABRB3
Hydrochloric Acid SCHEMBL3592354 0.73 MAPT (0.46) USP2ALDH1A1
SCHEMBL10650790 0.73 CNR2 (0.50) MAOBIDO1KDM1AXDHGABRG2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 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 (1 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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 MAOB 1398/4885IDO1 3873/4885CLK4 391/4885

“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.