SCHEMBL13167800

SCHEMBL13167800

Cc1c(Cl)cc2c(c1Cl)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
▸ MAPK14 Q16539 1/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ ACACB O00763 1/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ MAOB P27338 6/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ ITGB2 P05107 3/20 0.41
▸ ICAM1 P05362 3/20 0.41
▸ ITGAL P20701 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL10156372 0.92 PIK3CA (0.47) PIK3CAMAPK14HDAC6ACACBACACA
SCHEMBL12370119 0.87 PIK3CA (0.44) PIK3CAMAPK14ACACBACACAMAOB
SCHEMBL12651397 0.87 PIK3CA (0.43) PIK3CAMAPK14HDAC6ACACBACACA
SCHEMBL18885627 0.87 HDAC6 (0.46) PIK3CAMAPK14HDAC6MAOBITGB2
SCHEMBL15498050 0.86 HDAC6 (0.52) PIK3CAHDAC6MAOBITGB2ICAM1
SCHEMBL13821871 0.81 ITGB2 (0.50) HDAC6ITGB2ICAM1ITGAL
SCHEMBL15445336 0.78 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL12719224 0.78 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL10156375 0.77 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL12749848 0.77 ITGB2 (0.44) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 — — US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 — — US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 — — US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 — — US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 — — 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 (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-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 PIK3CA 4193/4885MAPK14 4200/4885HDAC6 1410/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PIK3CA 4201/4885MAPK14 4191/4885HDAC6 1412/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PIK3CA 4205/4885MAPK14 4202/4885HDAC6 1399/4885

“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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