SCHEMBL9957199

SCHEMBL9957199

Cc1ccc(-c2cn3nc(NCc4ccc(CO)cc4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.38
CSNK1E P49674 7/20 0.38
FYN P06241 1/20 0.38
TP53 P04637 4/20 0.36
MAPT P10636 4/20 0.36
RXFP1 Q9HBX9 3/20 0.36
LMNA P02545 2/20 0.36
TTK P33981 1/20 0.36
RIPK1 Q13546 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL9956012 0.90 HDAC8 (0.43) CSNK1DCSNK1EKDM4EALDH1A1GLA
SCHEMBL9955295 0.90 KMT2A (0.40) CSNK1DCSNK1ETP53MAPTRXFP1
SCHEMBL9956501 0.86 ALDH1A1 (0.43) TP53MAPTRXFP1LMNAKDM4E
SCHEMBL9956797 0.85 HDAC1 (0.49)
SCHEMBL9956553 0.82 HDAC4 (0.44)
SCHEMBL9957178 0.81 CSNK1D (0.45) CSNK1DCSNK1ERIPK1
SCHEMBL9956009 0.81 KDR (0.37) RIPK1
SCHEMBL9955992 0.79 CSNK1D (0.41) CSNK1DCSNK1ETP53MAPTRXFP1
SCHEMBL9957471 0.79 MAPT (0.44) CSNK1DCSNK1ETP53MAPTRXFP1
SCHEMBL9957428 0.78 CSNK1D (0.40) CSNK1DCSNK1ETP53MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 EP claimed
US-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI (USA), LTD. 2012-07-12 US claimed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 WO claimed
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 EP 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-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PRXL2A, CDK2, CCNA2 CSNK1D 655/4885CSNK1E 852/4885FYN 831/4885

“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.