SCHEMBL12370119

SCHEMBL12370119

Cc1c(C=O)c(Cl)cc2c1CCN(C(=O)c1ccc3cn[nH]c3c1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.44
▸ MAPK14 Q16539 1/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ MAOB P27338 6/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ DDR2 Q16832 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38

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
SCHEMBL12651397 0.91 PIK3CA (0.43) PIK3CAMAPK14NAMPTMAOBKDM4E
SCHEMBL13167800 0.87 PIK3CA (0.47) PIK3CAMAPK14NPC1LMNAMAPT
SCHEMBL10156372 0.83 PIK3CA (0.47) PIK3CAMAPK14NPC1LMNAMAPT
SCHEMBL18885627 0.80 HDAC6 (0.46) PIK3CAMAPK14MAOB
SCHEMBL15498050 0.79 HDAC6 (0.52) PIK3CAMAOB
SCHEMBL10156375 0.79 ITGB2 (0.42) —
SCHEMBL13821871 0.75 ITGB2 (0.50) —
SCHEMBL12060482 0.74 ITGB2 (0.49) —
SCHEMBL13302889 0.72 ITGB2 (0.42) —
SCHEMBL10157546 0.72 ITGB2 (0.49) —

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
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 — — US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 — — US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 — — 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-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PIK3CA 4201/4885MAPK14 4191/4885NPC1 2033/4885

“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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