SCHEMBL9955447

SCHEMBL9955447

Cc1ccc(-c2cn3nc(-c4ccc(C(=O)NOC5CCCCO5)cc4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
WDR5 P61964 1/20 0.37
RIPK1 Q13546 2/20 0.37
TGFBR1 P36897 1/20 0.37
HPGDS O60760 3/20 0.36
CSNK1D P48730 3/20 0.35
CSNK1E P49674 3/20 0.35
KDR P35968 2/20 0.35
PIK3CG P48736 1/20 0.35
MAPK14 Q16539 2/20 0.34
SMO Q99835 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL9957088 0.94 TGFBR1 (0.39) NPC1RAB9AWDR5RIPK1TGFBR1
SCHEMBL9956009 0.89 KDR (0.37) NPC1RAB9AWDR5RIPK1TGFBR1
SCHEMBL9955957 0.88 TGFBR1 (0.38) NPC1RAB9AWDR5RIPK1TGFBR1
SCHEMBL9956895 0.86 NPC1 (0.38) NPC1RAB9ARIPK1CSNK1DCSNK1E
SCHEMBL9956960 0.82 CSNK1D (0.42) RIPK1CSNK1DCSNK1EMAPK14SMO
SCHEMBL9956631 0.82 PIK3CG (0.42) RIPK1CSNK1DCSNK1EPIK3CGMAPK14
SCHEMBL9955915 0.81 CAMKK2 (0.44) RIPK1CSNK1DCSNK1ERXFP1
SCHEMBL9957221 0.81 CSNK1D (0.44) RIPK1CSNK1DCSNK1ERXFP1
SCHEMBL10277139 0.80 TGFBR1 (0.37) NPC1RAB9AWDR5TGFBR1CSNK1D
SCHEMBL9955473 0.80 ALDH1A1 (0.46) NPC1RAB9ARIPK1CSNK1DCSNK1E

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 8 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
US-10066164-B2 Semiconductor nanocrystals used with LED sources NAJING TECHNOLOGY CORPORATION LIMITED (CN) 2018-09-04 US disclosed
US-9580647-B2 Simultaneous optimization of absorption and emission of nanocrystals NAJING TECHNOLOGY CORPORATION LIMITED (CN) 2017-02-28 US disclosed
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
US-20130134366-A1 Simultaneous Optimization of Absorption and Emission of Nanocrystals NAJING TECHNOLOGY CORPORATION LIMITED (CN) 2013-05-30 US disclosed
US-20120175588-A1 SEMICONDUCTOR NANOCRYSTALS USED WITH LED SOURCES NAJING TECHNOLOGY CORPORATION LIMITED (CN) 2012-07-12 US 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 NPC1 2650/4885RAB9A 3019/4885GSTP1 2009/4885

“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.