SCHEMBL10308705

SCHEMBL10308705

Cc1ccc(F)c(-c2ccc3nc(-c4ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c4)cn3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
LRRK2 Q5S007 5/20 0.39
ALDH1A3 P47895 1/20 0.39
PIM1 P11309 1/20 0.38
SRC P12931 1/20 0.38
GSK3A P49840 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
CASP6 P55212 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL9954832 0.92 KDM4E (0.41) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL9956841 0.90 ABL1 (0.43) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL9957656 0.87 CSNK1D (0.43) PIK3CA
SCHEMBL9957124 0.85 CLK1 (0.48) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL9960734 0.83 APP (0.51) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL9956207 0.81 CSNK1D (0.43) PIK3CA
SCHEMBL9955551 0.81 WNT3A (0.42) NPC1KDM4EALDH1A1RAB9AMAPT
SCHEMBL9956634 0.79 CSNK1D (0.47) PIK3CA
SCHEMBL9956952 0.79 RXFP1 (0.47) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL9956655 0.78 SMN1; SMN2 (0.41) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 US disclosed
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 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 2650/4885KDM4E 2693/4885ALDH1A1 334/4885

“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.