SCHEMBL17809615

SCHEMBL17809615

Cc1c(-c2cnn(C)c2)ccc2c1CCN2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ CDC42BPB Q9Y5S2 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ INCENP Q9NQS7 1/20 0.36
▸ TPX2 Q9ULW0 1/20 0.36
▸ BMPR1A P36894 1/20 0.36
▸ ACVRL1 P37023 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ CREBBP Q92793 3/20 0.35
▸ MTOR P42345 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ GRM1 Q13255 1/20 0.34
▸ SMARCA2 P51531 1/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ JUN P05412 1/20 0.34
▸ MAPK10 P53779 1/20 0.34

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
SCHEMBL17809602 0.84 BRD4 (0.41) BRD4ROCK2ROCK1CDC42BPBLRRK2
SCHEMBL17806268 0.83 ROCK2 (0.36) BRD4ROCK2ROCK1CDC42BPBLRRK2
SCHEMBL17785818 0.81 RAB9A (0.41) BRD4CREBBP
SCHEMBL17809532 0.81 GRM5 (0.39) BRD4ROCK2ROCK1CDC42BPBAURKA
SCHEMBL23055771 0.81 GRM5 (0.45) BRD4AURKAAURKBINCENPTPX2
SCHEMBL17809797 0.76 CREBBP (0.39) BRD4ROCK2ROCK1CDC42BPBLRRK2
SCHEMBL17785888 0.76 GPR119 (0.44) BRD4
SCHEMBL17785709 0.72 PARP10 (0.43) BRD4ROCK2ROCK1CDC42BPBLRRK2
SCHEMBL5523708 0.71 ESR1 (0.36) —
SCHEMBL17991848 0.70 BRD4 (0.43) BRD4ROCK2ROCK1CDC42BPBLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — 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 (2 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 BRD4 11/4885ROCK2 2944/4885ROCK1 2317/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 BRD4 11/4885ROCK2 2944/4885ROCK1 2317/4885

“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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