SCHEMBL3594072

SCHEMBL3594072

CC(C(=O)NN)c1ccc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
PLK1 P53350 1/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 6/20 0.46
MET P08581 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL30314473 0.84 AKR1C3 (0.55) AKR1C3AKR1C2HTTALOX15PLK1
SCHEMBL28169181 0.84 AKR1C3 (0.57) AKR1C3AKR1C2HTTALOX15PLK1
SCHEMBL27838268 0.83 MAPT (0.48) AKR1C3AKR1C2HTTALOX15PLK1
SCHEMBL1492942 0.82 AKR1C3 (0.70) AKR1C3AKR1C2HTTALOX15PLK1
SCHEMBL30564458 0.82 AKR1C3 (0.70) AKR1C3AKR1C2HTTALOX15PLK1
SCHEMBL2341919 0.82 AKR1C3 (0.70) AKR1C3AKR1C2HTTALOX15PLK1
SCHEMBL1669333 0.82 ALOX15 (0.57) AKR1C3AKR1C2HTTALOX15PLK1
SCHEMBL9910479 0.81 AKR1C3 (0.55) AKR1C3AKR1C2HTTALOX15PLK1
Hydrochloric Acid SCHEMBL2696415 0.80 AKR1C3 (0.54) AKR1C3AKR1C2HTTALOX15PLK1
SCHEMBL27755472 0.78 AKR1C3 (0.55) AKR1C3AKR1C2HTTALOX15PLK1

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 11 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
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
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 AKR1C3 3459/4885AKR1C2 3177/4885HTT 4272/4885

“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.