SCHEMBL10022422

SCHEMBL10022422

CC(C)c1cc2cc(C#N)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 9/20 0.43
▸ BRD1 O95696 7/20 0.43
▸ BRPF3 Q9ULD4 6/20 0.43
▸ BRD9 Q9H8M2 4/20 0.40
▸ ENPP3 O14638 1/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ BRD4 O60885 3/20 0.37
▸ BRD7 Q9NPI1 2/20 0.37
▸ ALB P02768 1/20 0.37
▸ P2RX7 Q99572 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ IMPDH1 P20839 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ EGFR P00533 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
SCHEMBL10022420 0.87 CDC7 (0.40) BRPF1BRD1BRPF3BRD9CDC7
SCHEMBL12958654 0.85 ENPP3 (0.39) BRPF1BRD1BRPF3BRD9ENPP3
SCHEMBL10022436 0.80 BRPF1 (0.44) BRPF1BRD1BRPF3CYP2A6
SCHEMBL10053515 0.77 BRPF1 (0.45) BRPF1BRD1BRPF3BRD9ENPP3
SCHEMBL28265765 0.76 ENPP3 (0.42) BRPF1BRD1BRPF3BRD9ENPP3
SCHEMBL27969722 0.76 ENPP3 (0.42) BRPF1BRD1BRPF3BRD9ENPP3
SCHEMBL26745662 0.75 RXFP1 (0.50) CYP2A6KDM4EALDH1A1
SCHEMBL21730433 0.75 LMNA (0.35) BRPF1BRD1TRPA1TRIM24KDM4E
SCHEMBL4617249 0.74 KDM4E (0.60) ALBTRPA1KDM4EALDH1A1EGFR
SCHEMBL11689499 0.74 KMT2A (0.60) ENPP3ALBKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA BRPF1 3073/4885BRD1 3917/4885BRPF3 2260/4885

“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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