SCHEMBL9956009

SCHEMBL9956009

Cc1ccc(-c2cn3nc(NCc4ccc(C(=O)NOC5CCCCO5)cc4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
JAK2 O60674 2/20 0.37
IKBKB O14920 7/20 0.35
WDR5 P61964 1/20 0.34
CHUK O15111 1/20 0.34
CDK2 P24941 1/20 0.34
TGFBR1 P36897 1/20 0.34
KIT P10721 1/20 0.34
BRAF P15056 1/20 0.33
RIPK1 Q13546 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
MAPK14 Q16539 1/20 0.33
SMO Q99835 1/20 0.33

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
SCHEMBL9955447 0.89 NPC1 (0.39) KDRNPC1RAB9AWDR5TGFBR1
SCHEMBL9957088 0.85 TGFBR1 (0.39) KDRNPC1RAB9AWDR5TGFBR1
SCHEMBL9956012 0.84 HDAC8 (0.43) KDRJAK2IKBKBMAPK14SMO
SCHEMBL9955295 0.82 KMT2A (0.40) NPC1RAB9AJAK2
SCHEMBL9956797 0.81 HDAC1 (0.49) KDR
SCHEMBL9957199 0.81 CSNK1D (0.38) RIPK1
SCHEMBL10277139 0.80 TGFBR1 (0.37) KDRNPC1RAB9AWDR5TGFBR1
SCHEMBL9955957 0.78 TGFBR1 (0.38) KDRNPC1RAB9AWDR5TGFBR1
SCHEMBL9956895 0.78 NPC1 (0.38) NPC1RAB9ARIPK1
SCHEMBL9956501 0.76 ALDH1A1 (0.43) NPC1RAB9ABRAF

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 KDR 1625/4885NPC1 2650/4885RAB9A 3019/4885

“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.