SCHEMBL4114651

SCHEMBL4114651

COC(=O)c1ccc(Nc2cc(-c3ccccc3OCCN3CCOCC3)ncn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 6/20 0.49
▸ CDK9 P50750 6/20 0.49
▸ ABL1 P00519 3/20 0.49
▸ BCR P11274 2/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP1A2 P05177 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ USP2 O75604 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 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
SCHEMBL4101916 0.91 MEN1 (0.52) CCNT1CDK9KDM4ECYP1A2CYP3A4
SCHEMBL15486591 0.83 CYP1A2 (0.55) CCNT1CDK9CCNA2CDK2CYP1A2
SCHEMBL4103152 0.81 CYP1A2 (0.53) CCNT1CDK9CYP1A2ALDH1A1ALOX15
SCHEMBL4109227 0.80 USP2 (0.72) CCNT1CDK9CYP1A2ALDH1A1ALOX15
SCHEMBL4108496 0.79 USP2 (0.52) CCNT1CDK9ABL1CYP1A2ALDH1A1
SCHEMBL4103533 0.79 ALDH1A1 (0.73) CCNT1CDK9ABL1BCRCCNA2
SCHEMBL4109385 0.79 CDK9 (0.51) CCNT1CDK9CCNA2CDK2CYP1A2
SCHEMBL4103227 0.76 CDK9 (0.59) CCNT1CDK9CCNA2CDK2CYP1A2
SCHEMBL4103419 0.75 CDK9 (0.57) CCNT1CDK9ABL1BCRCCNA2
SCHEMBL4096927 0.75 USP2 (0.67) CCNT1CDK9CCNA2CDK2CYP1A2

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 7 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
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 CCNT1 2075/4885CDK9 137/4885ABL1 861/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CCNT1 81/4885CDK9 97/4885ABL1 537/4885

“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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