SCHEMBL6487335

SCHEMBL6487335

O=C(O)c1c[nH]nc1-c1cc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 12/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ DAO P14920 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ESR1 P03372 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ FLT3 P36888 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ BRD4 O60885 1/20 0.40

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
SCHEMBL5759131 0.87 ITK (0.48) ITKNPC1RAB9ACHEK1KDR
SCHEMBL22258787 0.84 ITK (0.46) ITKKDM4EKDRAURKAAURKB
SCHEMBL22258959 0.82 PIP5K1C (0.48) ITKKDM4E
SCHEMBL5754644 0.82 KDM4E (0.47) ITKKDM4EMAPTHPGDNPC1
SCHEMBL22258963 0.79 DRD2 (0.49) ITKKDM4EHSD17B10
SCHEMBL4125890 0.76 ITK (0.54) ITKKDM4EMAPTHPGDNPC1
SCHEMBL7512781 0.76 ITK (0.54) ITKKDM4EMAPTHPGDNPC1
SCHEMBL15661264 0.74 KDM4E (0.61) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL27437769 0.74 KDR (0.56) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL5756512 0.74 ITK (0.54) ITKKDM4EMAPTHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 — — 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 ITK 392/4885KDM4E 765/4885MAPT 1668/4885

“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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