SCHEMBL3592648

SCHEMBL3592648

CC(C)(C#N)c1ccc2ncccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ POLB P06746 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ ATM Q13315 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ DYRK1A Q13627 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
SCHEMBL28875487 0.84 MTOR (0.48) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL21215578 0.82 ALDH1A1 (0.45) ALDH1A1POLBNPC1RAB9AATM
SCHEMBL264293 0.81 ALDH1A1 (0.58) ALDH1A1POLBNPC1RAB9AATM
SCHEMBL28270720 0.78 ALDH1A1 (0.55) ALDH1A1POLBNPC1RAB9AATM
SCHEMBL20991097 0.78 ALDH1A1 (0.55) ALDH1A1POLBNPC1RAB9AATM
SCHEMBL28563865 0.78 ALDH1A1 (0.55) ALDH1A1POLBNPC1RAB9AATM
SCHEMBL28359467 0.78 ALDH1A1 (0.55) ALDH1A1POLBNPC1RAB9AATM
SCHEMBL1329887 0.78 ALDH1A1 (0.55) ALDH1A1POLBNPC1RAB9AATM
SCHEMBL1329308 0.78 ALDH1A1 (0.55) ALDH1A1POLBNPC1RAB9AATM
Iodide SCHEMBL28543032 0.77 ALDH1A1 (0.53) ALDH1A1POLBNPC1RAB9AATM

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 5 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-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 ALDH1A1 3554/4885POLB 2576/4885NPC1 2777/4885

“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.

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