SCHEMBL10156372

SCHEMBL10156372

Cc1cc2c(c(Cl)c1C)CCN(C(=O)c1ccc3cn[nH]c3c1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.47
▸ ACACB O00763 1/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ MAOB P27338 4/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ NAMPT P43490 2/20 0.42
▸ DDR2 Q16832 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13167800 0.92 PIK3CA (0.47) PIK3CAACACBACACAPDGFRBPDGFRA
SCHEMBL12370119 0.83 PIK3CA (0.44) PIK3CAACACBACACAPDGFRBPDGFRA
SCHEMBL12651397 0.83 PIK3CA (0.43) PIK3CAACACBACACAMAOBMAPK14
SCHEMBL18885627 0.83 HDAC6 (0.46) PIK3CAMAOBMAPK14HDAC6ITGB2
SCHEMBL15498050 0.82 HDAC6 (0.52) PIK3CAMAOBHDAC6ITGB2ICAM1
SCHEMBL12749848 0.80 ITGB2 (0.44) ITGB2ICAM1ITGAL
SCHEMBL13302889 0.79 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL13821871 0.78 ITGB2 (0.50) HDAC6ITGB2ICAM1ITGAL
SCHEMBL12060483 0.75 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL16307479 0.74 ITGB2 (0.69) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 — — US disclosed
US-8071617-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2011-12-06 — — US disclosed
US-7928122-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2011-04-19 — — US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 — — US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 — — 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 (2 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-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 PIK3CA 4193/4885ACACB 3426/4885ACACA 3416/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PIK3CA 4205/4885ACACB 3481/4885ACACA 3457/4885

“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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