SCHEMBL21892099

SCHEMBL21892099

Cn1cnc2cc(N)c(Cl)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ IP6K1 Q92551 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ACVR1 Q04771 2/20 0.41
▸ F2RL3 Q96RI0 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ DOT1L Q8TEK3 2/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ BRAF P15056 2/20 0.36

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
SCHEMBL9919054 0.78 L3MBTL1 (0.43) L3MBTL1IP6K1KDM4EACVR1F2RL3
SCHEMBL1115838 0.76 L3MBTL1 (0.58) L3MBTL1IP6K1KDM4EACVR1
SCHEMBL7268093 0.75 HTR4 (0.39) ACVR1
SCHEMBL24569353 0.73 L3MBTL1 (0.48) L3MBTL1IP6K1KDM4EACVR1F2RL3
SCHEMBL4252815 0.73 L3MBTL1 (0.59) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL9919058 0.73 L3MBTL1 (0.59) L3MBTL1IP6K1KDM4EACVR1F2RL3
SCHEMBL22226939 0.73 L3MBTL1 (0.44) L3MBTL1IP6K1KDM4EACVR1F2RL3
SCHEMBL9919057 0.73 F2RL3 (0.51) L3MBTL1IP6K1KDM4EACVR1F2RL3
SCHEMBL15680577 0.73 L3MBTL1 (0.50) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL15937428 0.71 L3MBTL1 (0.46) L3MBTL1IP6K1KDM4EACVR1ALDH1A1

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-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 — — 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-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT L3MBTL1 3493/4885IP6K1 347/4885KDM4E 2089/4885

“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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