SCHEMBL4103533

SCHEMBL4103533

COc1ccccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)ncn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.73
▸ MAPT P10636 3/20 0.73
▸ HPGD P15428 3/20 0.73
▸ HTT P42858 2/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ USP2 O75604 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ CLK4 Q9HAZ1 1/20 0.60
▸ JAK2 O60674 1/20 0.59
▸ CDK9 P50750 9/20 0.59
▸ CCNT1 O60563 8/20 0.59
▸ CCNA2 P20248 1/20 0.59
▸ CDK2 P24941 1/20 0.59
▸ ABL1 P00519 6/20 0.58
▸ BCR P11274 6/20 0.58

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
SCHEMBL4103227 0.85 CDK9 (0.59) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL4096927 0.84 USP2 (0.67) ALDH1A1USP2LMNACYP1A2CYP2D6
SCHEMBL4109227 0.82 USP2 (0.72) ALDH1A1USP2LMNACYP1A2CYP2D6
SCHEMBL4101983 0.82 USP2 (0.72) ALDH1A1USP2LMNACYP1A2CYP2D6
SCHEMBL4710503 0.82 USP2 (0.72) ALDH1A1USP2LMNACYP1A2CYP2D6
SCHEMBL4101911 0.81 USP2 (0.71) ALDH1A1USP2LMNACYP1A2CYP2D6
SCHEMBL4105833 0.81 USP2 (0.71) ALDH1A1USP2LMNACYP1A2CYP2D6
SCHEMBL19664562 0.80 CDK9 (0.62) ALDH1A1HPGDSMN1; SMN2USP2LMNA
SCHEMBL4114651 0.79 CCNT1 (0.49) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL4108180 0.78 USP2 (0.67) ALDH1A1USP2LMNACYP1A2CYP2D6

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 ALDH1A1 2533/4885MAPT 215/4885HPGD 3049/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 ALDH1A1 2348/4885MAPT 3014/4885HPGD 698/4885

“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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