SCHEMBL21177228

SCHEMBL21177228

CC(C)c1cnc(-c2ccc(F)cc2)nc1Nc1ccnc2[nH]cc(N3CCC(N)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.44
ROCK1 Q13464 16/20 0.44
CDC42BPB Q9Y5S2 16/20 0.44
AKT2 P31751 1/20 0.37
PRKCA P17252 1/20 0.36
PRKCQ Q04759 1/20 0.36
CDC42BPA Q5VT25 3/20 0.35
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RET P07949 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
Hydrochloric Acid SCHEMBL21177443 0.99 ROCK2 (0.44) ROCK2ROCK1CDC42BPBAKT2PRKCA
SCHEMBL21190143 0.92 ROCK2 (0.36) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL21190142 0.90 ROCK2 (0.42) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL21189975 0.90 ROCK2 (0.40) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL21190173 0.90 ROCK1 (0.43) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL21189967 0.90 ITGB2 (0.38) ROCK2ROCK1CDC42BPB
SCHEMBL21190153 0.89 ROCK2 (0.41) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL21177471 0.89 ROCK1 (0.39) ROCK2ROCK1CDC42BPBCDC42BPAHDAC10
SCHEMBL21190038 0.88 LRRK2 (0.43) ROCK2ROCK1CDC42BPB
Formic Acid SCHEMBL21177218 0.87 ITGB2 (0.37) ROCK2ROCK1CDC42BPB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-06-04 US claimed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 WO claimed
US-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-06-04 US disclosed
US-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-06-04 US disclosed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 WO disclosed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 WO 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-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE MAP2K2, MAP2K5, MAP2K1 ROCK2 160/4885ROCK1 159/4885CDC42BPB 123/4885

“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.