SCHEMBL9909105

SCHEMBL9909105

Cc1ccc2[nH]nc(CN3CCOCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.51
▸ PPARG P37231 1/20 0.50
▸ NR2E3 Q9Y5X4 1/20 0.50
▸ NCOR2 Q9Y618 1/20 0.50
▸ HSD17B10 Q99714 3/20 0.47
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL14338764 0.84 HSD17B10 (0.52) JAK2HSD17B10ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4433001 0.82 JAK2 (0.49) JAK2HSD17B10ALDH1A1HSP90AA1HSP90AB1
SCHEMBL9906854 0.82 JAK2 (0.55) JAK2HSP90AA1HSP90AB1NPC1LRRK2
SCHEMBL17848906 0.79 LRRK2 (0.58) JAK2HSD17B10LRRK2LMNAHIF1A
SCHEMBL4441868 0.78 CHEK1 (0.58) JAK2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL4992471 0.76 MET (0.50) JAK2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL2932210 0.76 KDM4E (0.53) JAK2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL11971273 0.76 HSD17B10 (0.46) JAK2HSD17B10ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15219329 0.74 HRH3 (0.56) PPARGNR2E3NCOR2HSD17B10KDM4E
SCHEMBL28875476 0.74 JAK2 (0.49) JAK2HSP90AA1HSP90AB1CHEK1CDK7

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-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 — — US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 — — 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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET JAK2 169/4885PPARG 4561/4885NR2E3 3500/4885

“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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