SCHEMBL10054048

SCHEMBL10054048

CCn1c(C)cc2cc(C#N)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 3/20 0.50
SMARCA2 P51531 1/20 0.46
CYP11B2 P19099 4/20 0.43
CYP11B1 P15538 3/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACSS2 Q9NR19 1/20 0.41
CYP2A6 P11509 2/20 0.40
BRD1 O95696 1/20 0.40
BRPF3 Q9ULD4 1/20 0.40
S1PR1 P21453 1/20 0.40
PTGER4 P35408 2/20 0.39
NSD2 O96028 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7491601 0.87 CYP11B2 (0.46) BRPF1SMARCA2CYP11B2CYP11B1KDM4E
SCHEMBL8029433 0.80 NTRK1 (0.46) BRPF1SMARCA2KDM4ELMNAALDH1A1
SCHEMBL7491020 0.80 BRPF1 (0.42) BRPF1SMARCA2CYP11B2CYP11B1KMT2A
SCHEMBL10022436 0.80 BRPF1 (0.44) BRPF1SMARCA2CYP11B2CYP11B1ACSS2
SCHEMBL9959510 0.79 CCR2 (0.49) CYP11B2CYP11B1KDM4EALDH1A1S1PR1
SCHEMBL21335575 0.78 BRPF1 (0.44) BRPF1SMARCA2CYP11B2CYP11B1ACSS2
SCHEMBL10053515 0.77 BRPF1 (0.45) BRPF1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7958147 0.77 NTRK1 (0.57) BRPF1SMARCA2ACSS2BRD1BRPF3
SCHEMBL9581147 0.77 KMT2A (0.47) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL7488753 0.76 MAPT (0.56) BRPF1KDM4ELMNAALDH1A1MEN1

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
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP 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 3073/4885SMARCA2 1271/4885CYP11B2 254/4885

“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.