SCHEMBL4108496

SCHEMBL4108496

CCN(CC)CCOc1ccccc1-c1cc(Nc2ccc(C(=O)OC)cc2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ CDK9 P50750 17/20 0.52
▸ CCNT1 O60563 16/20 0.52
▸ EGFR P00533 2/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ BRAF P15056 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ EPHB4 P54760 1/20 0.47

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
SCHEMBL4103152 0.90 CYP1A2 (0.53) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4109385 0.88 CDK9 (0.51) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4109227 0.84 USP2 (0.72) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4113919 0.81 CDK9 (0.60) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4101916 0.81 MEN1 (0.52) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4103571 0.80 USP2 (0.61) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4114651 0.79 CCNT1 (0.49) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4109262 0.78 CYP1A2 (0.53) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4108180 0.76 USP2 (0.67) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4710503 0.75 USP2 (0.72) USP2ALDH1A1LMNACYP1A2CYP2D6

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
EP-1678147-B1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES LEAD DISCOVERY CENTER GMBH (DE) 2012-08-08 — — EP claimed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 — — US claimed
US-8084457-B2 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases LEAD DISCOVERY CENTER GMBH (DE) 2011-12-27 — — US disclosed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 — — US disclosed
US-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-08-16 — — 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-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases DAPK1, DUSP4, MARK4 USP2 4706/4885ALDH1A1 2533/4885LMNA 3977/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 USP2 1305/4885ALDH1A1 2348/4885LMNA 3050/4885

“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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