SCHEMBL6942676

SCHEMBL6942676

CC(C)(C)OC(=O)NCc1nn(-c2ccc(C(=O)NCc3cc(C(=N)N)ccc3O)cc2C(F)(F)F)c2c1CCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.36
DDR1 Q08345 8/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NTRK1 P04629 1/20 0.34
EPHX2 P34913 5/20 0.33
ALOX5 P09917 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL2998879 0.88 CYP1A2 (0.36) DDR1F10PRSS1CYP1A2CYP2D6
SCHEMBL2986476 0.86 CYP1A2 (0.39) DDR1F10PRSS1CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL6941228 0.86 F10 (0.35) DDR1F10PRSS1CYP1A2CYP2D6
SCHEMBL7563517 0.86 CYP1A2 (0.37) DDR1F10PRSS1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6942078 0.85 CYP1A2 (0.38) DDR1F10PRSS1CYP1A2CYP2D6
SCHEMBL7071509 0.85 CYP1A2 (0.37) RAF1BRAFCYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7561338 0.85 CYP1A2 (0.37) DDR1F10PRSS1CYP1A2CYP2D6
SCHEMBL6939396 0.85 CYP1A2 (0.38) DDR1F10PRSS1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7071388 0.84 CYP1A2 (0.37) DDR1F10PRSS1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7561554 0.83 GRIA2 (0.38) DDR1F10PRSS1CYP1A2CYP2D6

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-1370540-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-17 EP disclosed
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 US disclosed
WO-2002072558-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-19 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-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 HPN 303/4885DDR1 3382/4885F10 33/4885

“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.