SCHEMBL3710053

SCHEMBL3710053

O=C(Nc1ccc2c(c1)CNC2)n1cc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.45
▸ ITGA2B P08514 4/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43

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
SCHEMBL3710054 0.79 NAMPT (0.65) —
SCHEMBL12501320 0.74 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL531914 0.74 NPC1 (0.66) ITGB3
SCHEMBL531907 0.72 CYP1A2 (0.55) ITGB3ITGA2B
SCHEMBL29606520 0.72 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL702095 0.72 SMN1; SMN2 (0.60) —
SCHEMBL3697172 0.71 POLB (0.50) PIK3CAMTOR
SCHEMBL701869 0.71 TAS1R3 (0.55) CHRM1
Hydrochloric Acid SCHEMBL4761772 0.71 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL703043 0.71 TAS1R3 (0.55) —

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
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 — — US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 — — US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 — — US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 — — EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 — — WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 — — 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 (3 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK ITGB3 3134/4885ITGA2B 3071/4885PIK3CA 735/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 ITGB3 2529/4885ITGA2B 2544/4885PIK3CA 1648/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 ITGB3 2529/4885ITGA2B 2544/4885PIK3CA 1648/4885

“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.

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