SCHEMBL5224692

SCHEMBL5224692

COc1ccc(C(=O)c2cccc(N)c2NC(=O)C2CCN(Cc3ccncc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
F10 P00742 2/20 0.47
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
ACKR3 P25106 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ACHE P22303 2/20 0.45
LTA4H P09960 1/20 0.44
CYP2D6 P10635 1/20 0.44
LSS P48449 1/20 0.44

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
SCHEMBL5223734 0.92 CHRM4 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7251743 0.91 KMT2A (0.52) ACKR3KMT2AMEN1ACHE
SCHEMBL7243422 0.90 ACKR3 (0.49) CYP3A4CYP2C9PRKAB2PRKAG1PRKAA2
SCHEMBL7246833 0.90 ACKR3 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5226525 0.88 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5225093 0.87 USP2 (0.50) CYP3A4CYP2C9TSHRPRKAB2PRKAG1
SCHEMBL5226198 0.87 F10 (0.55) CYP3A4CYP2C9TSHRF10KMT2A
SCHEMBL7251452 0.87 RAB9A (0.53) ACKR3KMT2AMEN1LTA4H
SCHEMBL7243729 0.87 ALDH1A1 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7249950 0.86 ACKR3 (0.45) CYP3A4CYP2C9PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 CYP3A4 580/4885CYP2C9 254/4885TSHR 2545/4885

“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.