SCHEMBL29873410

SCHEMBL29873410

COc1ccc(Cn2nc(OC(F)F)c3cc(N[C@H]4CC[C@H](N)CC4)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 2/20 0.43
▸ CCNE1 P24864 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ PDGFRA P16234 2/20 0.41
▸ AOC3 Q16853 2/20 0.38
▸ MAPK6 Q16659 1/20 0.38
▸ AXL P30530 2/20 0.36
▸ TYRO3 Q06418 2/20 0.36
▸ MERTK Q12866 2/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ GALR2 O43603 2/20 0.35
▸ GALR1 P47211 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL29872989 0.84 BUB1 (0.40) PDE1BCCNE1CDK2PDGFRAAXL
SCHEMBL23069175 0.78 CNR1 (0.43) PDE1BCNR2CNR1ALDH1A1LMNA
SCHEMBL29873478 0.78 CNR1 (0.43) PDE1BCNR2CNR1ALDH1A1LMNA
SCHEMBL29872519 0.78 PDE1B (0.34) PDE1BPDGFRACNR2
SCHEMBL29872865 0.77 PDE1B (0.50) PDE1BCNR2CNR1ALDH1A1LMNA
SCHEMBL29872986 0.77 CNR2 (0.45) PDE1BCNR2CNR1ALDH1A1LMNA
SCHEMBL23069164 0.77 PDE1B (0.50) PDE1BCNR2CNR1ALDH1A1LMNA
SCHEMBL29872618 0.75 CNR1 (0.39) PDE1BCNR2CNR1ALDH1A1LMNA
SCHEMBL29873199 0.73 CACNA1B (0.39) CDK2CNR2CNR1ALDH1A1KMT2A
SCHEMBL29873129 0.70 MAPT (0.46) CNR2CNR1LMNAMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306640-A1 HYDANTOIN DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-29 — — 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-20220306640-A1 HYDANTOIN DERIVATIVE DDR1, DDR2, DDRGK1 PDE1B 1600/4885CCNE1 161/4885CDK2 370/4885

“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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