SCHEMBL12786977

SCHEMBL12786977

COc1nc(-c2cc3nccc(Cl)c3cc2C)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SREBF2 Q12772 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ SRC P12931 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CYP19A1 P11511 2/20 0.32
▸ F2RL3 Q96RI0 1/20 0.31
▸ CGAS Q8N884 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL12786983 0.80 RET (0.47) TLR8MEN1KMT2AMAPTATM
SCHEMBL12786978 0.72 RET (0.55) RAB9ANPC1
SCHEMBL26178852 0.71 SRC (0.49) SRCCGAS
SCHEMBL10305108 0.71 CYP1A1 (0.42) FBP1ALDH1A1KDM4ERAB9AMEN1
SCHEMBL10305110 0.71 HSP90AB1 (0.45) FBP1TLR8RAB9ANPC1MAPT
SCHEMBL6002911 0.70 TLR8 (0.43) ALDH1A1KDM4ETLR8MEN1KMT2A
SCHEMBL10304993 0.70 MEN1 (0.51) FBP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10305109 0.69 CYP1A1 (0.50) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL3905974 0.68 SRC (0.49) SRCCGAS
SCHEMBL27770666 0.68 CYP19A1 (0.53) ALDH1A1KDM4ERAB9AKMT2ANPC1

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-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 — — 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-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT RET, ABL1, PRKACA FBP1 1662/4885ALDH1A1 3221/4885KDM4E 1121/4885

“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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