SCHEMBL2986476

SCHEMBL2986476

Cc1nn(-c2ccc(C(=O)NCc3cc(C(=N)N)ccc3O)cc2C(F)(F)F)c2c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
F10 P00742 3/20 0.38
PRSS1 P07477 1/20 0.38
DDR1 Q08345 3/20 0.36
EPHX2 P34913 7/20 0.35
ALOX5 P09917 1/20 0.35
GRIA2 P42262 1/20 0.34
P2RX7 Q99572 1/20 0.34
HTR7 P34969 1/20 0.34
KLKB1 P03952 1/20 0.34
EPHX1 P07099 1/20 0.33

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 SCHEMBL6942078 0.99 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19F10PRSS1
SCHEMBL6939396 0.91 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19F10PRSS1
SCHEMBL7563517 0.90 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19F10PRSS1
Hydrochloric Acid SCHEMBL7071388 0.90 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19F10PRSS1
SCHEMBL2998879 0.90 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19F10PRSS1
Hydrochloric Acid SCHEMBL7563584 0.89 F10 (0.38) CYP1A2CYP2D6CYP2C19F10PRSS1
Hydrochloric Acid SCHEMBL7561338 0.89 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19F10PRSS1
Hydrochloric Acid SCHEMBL7561554 0.89 GRIA2 (0.38) CYP1A2CYP2D6CYP2C19F10PRSS1
Trifluoroacetic Acid SCHEMBL6941228 0.87 F10 (0.35) CYP1A2CYP2D6CYP2C19F10PRSS1
SCHEMBL6942676 0.86 HPN (0.36) CYP1A2CYP2D6CYP2C19F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases EISERT WOLFGANG 2009-03-19 US claimed
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases EISERT WOLFGANG 2009-03-19 US disclosed
US-20090048173-A1 Use Of Dipyridamole For Treatment Of Resistance To Platelet Inhibitors EISERT WOLFGANG 2009-02-19 US disclosed
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 US disclosed
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 (5 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-20090048173-A1 Use Of Dipyridamole For Treatment Of Resistance To Platelet Inhibitors ANXA5, F5, ANXA3 CYP1A2 3109/4885CYP2D6 961/4885CYP2C19 609/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI CYP1A2 288/4885CYP2D6 114/4885CYP2C19 89/4885
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 CYP1A2 1807/4885CYP2D6 2523/4885CYP2C19 1143/4885
US-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 CYP1A2 176/4885CYP2D6 1073/4885CYP2C19 273/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 CYP1A2 1807/4885CYP2D6 2523/4885CYP2C19 1143/4885

“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.