SCHEMBL7529236

SCHEMBL7529236

CN(C(=N)c1ccc(C2=NOC(CN3CCN(CC(=O)O)CC3)C2)cc1)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.40
ITGA2B P08514 12/20 0.40
ITGB2 P05107 2/20 0.39
ITGAM P11215 2/20 0.39
MIF P14174 7/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL7529746 0.85 ITGB3 (0.38) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7534058 0.85 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7528845 0.84 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7532410 0.84 ITGB3 (0.42) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7531075 0.83 BLM (0.39) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7526583 0.82 LMNA (0.46) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7525907 0.81 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7664224 0.81 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7536611 0.81 ITGB3 (0.58) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7525511 0.81 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAM

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
US-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 US disclosed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 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-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists F13B, F11, FGB ITGB3 74/4885ITGA2B 41/4885ITGB2 93/4885

“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.