SCHEMBL4101916

SCHEMBL4101916

COC(=O)c1ccc(Nc2cc(-c3ccccc3OCCN3CCCCC3)ncn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CCNT1 O60563 7/20 0.49
▸ CDK9 P50750 7/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ KDR P35968 3/20 0.48
▸ EGFR P00533 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GLA P06280 1/20 0.47
▸ ATM Q13315 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
SCHEMBL4114651 0.91 CCNT1 (0.49) CCNT1CDK9KDM4EUSP2ALDH1A1
SCHEMBL4103152 0.82 CYP1A2 (0.53) CCNT1CDK9USP2ALDH1A1LMNA
SCHEMBL4109227 0.81 USP2 (0.72) CCNT1CDK9USP2ALDH1A1LMNA
SCHEMBL4108496 0.81 USP2 (0.52) CCNT1CDK9USP2ALDH1A1LMNA
SCHEMBL4109385 0.80 CDK9 (0.51) CCNT1CDK9USP2ALDH1A1LMNA
SCHEMBL4109262 0.75 CYP1A2 (0.53) MEN1KMT2ACCNT1CDK9KDM4E
SCHEMBL15486591 0.74 CYP1A2 (0.55) CCNT1CDK9USP2ALDH1A1LMNA
SCHEMBL4710503 0.73 USP2 (0.72) CCNT1CDK9USP2ALDH1A1LMNA
SCHEMBL4101983 0.73 USP2 (0.72) CCNT1CDK9USP2ALDH1A1LMNA
SCHEMBL4103370 0.73 ALDH1A1 (0.68) CCNT1CDK9USP2ALDH1A1LMNA

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 9 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
EP-1678147-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC Biotech AG (DE) 2006-07-12 — — EP claimed
WO-2005026129-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC BIOTECH AG (DE) 2005-03-24 — — WO 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
EP-1901747-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN Ingenium Pharmaceuticals AG (DE) 2008-03-26 — — EP 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
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 — — WO 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 MEN1 3957/4885GAA 2778/4885KMT2A 2555/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 MEN1 3961/4885GAA 2830/4885KMT2A 722/4885

“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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