SCHEMBL7121896

SCHEMBL7121896

Cc1cc(NC(=O)Cc2cc(C#N)ccc2OCc2ccccc2)ccc1C(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.46
LRRK2 Q5S007 5/20 0.45
RAB9A P51151 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PPIA P62937 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
PTGER1 P34995 1/20 0.42
CYP19A1 P11511 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL7126920 0.87 MRGPRX1 (0.46) SGMS2LRRK2RAB9ACYP11B1CYP11B2
SCHEMBL7127088 0.86 MRGPRX4 (0.49) MRGPRX4PPIACYP19A1
SCHEMBL7122686 0.81 P2RX4 (0.44) LRRK2MRGPRX4PPIAPTGER1CYP19A1
SCHEMBL5099764 0.80 MET (0.46) RAB9AMRGPRX4PPIACYP19A1
SCHEMBL7117549 0.75 SPHK1 (0.47) MRGPRX4CYP19A1
SCHEMBL7076172 0.75 MEN1 (0.45) MRGPRX4PPIAPTGER1CYP19A1
SCHEMBL7121876 0.74 ALDH1A1 (0.49) CYP19A1
SCHEMBL7561577 0.73 CYP19A1 (0.42) LRRK2MRGPRX4PPIAPTGER1CYP19A1
SCHEMBL7561698 0.73 RORC (0.41) LRRK2MRGPRX4PPIAPTGER1CYP19A1
SCHEMBL7126958 0.73 MET (0.46) RAB9ACYP19A1

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
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 SGMS2 3493/4885LRRK2 3640/4885RAB9A 3308/4885

“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.