SCHEMBL4096927

SCHEMBL4096927

COc1ccccc1-c1cc(Nc2ccc(N3CCOCC3)cc2)ncn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ CLK4 Q9HAZ1 1/20 0.67
▸ CCNT1 O60563 13/20 0.61
▸ CDK9 P50750 13/20 0.61
▸ CCNA2 P20248 1/20 0.61
▸ CDK2 P24941 1/20 0.61
▸ JAK2 O60674 3/20 0.56
▸ STK10 O94804 1/20 0.55
▸ SLK Q9H2G2 1/20 0.55
▸ TNIK Q9UKE5 1/20 0.55
▸ JAK3 P52333 2/20 0.54
▸ PTK2 Q05397 1/20 0.54
▸ FGFR1 P11362 1/20 0.54

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
SCHEMBL4103809 0.91 ALDH1A1 (0.69) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4103370 0.90 ALDH1A1 (0.68) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4103227 0.90 CDK9 (0.59) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4103533 0.84 ALDH1A1 (0.73) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL15486551 0.84 CCNT1 (0.58) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL19664562 0.83 CDK9 (0.62) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4109409 0.81 ALDH1A1 (0.83) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4097326 0.81 ALDH1A1 (0.82) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL28497627 0.81 CDK9 (0.68) USP2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL30507454 0.81 CDK9 (0.73) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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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