SCHEMBL13648657

SCHEMBL13648657

C#CCNc1nc(Nc2ccc(C(=O)OCC)cc2)ncc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.52
FGFR1 P11362 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 3/20 0.52
THRB P10828 1/20 0.52
AURKA O14965 1/20 0.52
JAK3 P52333 2/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
PDPK1 O15530 1/20 0.48
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CASP3 P42574 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
SCHEMBL14498989 0.88 CDK2 (0.64) ALKFGFR1MEN1KMT2ARAB9A
SCHEMBL3865501 0.84 MAPT (0.56) ALKMEN1KMT2ARAB9ATHRB
SCHEMBL13648562 0.81 AURKA (0.68) AURKAJAK2STK17BSTK17ACA2
SCHEMBL13648659 0.79 NTRK1 (0.61) AURKAJAK2STK17BSTK17ACA2
SCHEMBL4058941 0.76 CA2 (0.78) AURKASTK17BSTK17ACA2CDK2
SCHEMBL13648529 0.76 CDK1 (0.52) RAB9AAURKAJAK3JAK2JAK1
SCHEMBL3866210 0.75 RAB9A (0.52) ALKFGFR1MEN1KMT2ARAB9A
SCHEMBL16343865 0.75 RAB9A (0.64) ALKFGFR1MEN1KMT2ARAB9A
SCHEMBL4021099 0.75 AURKA (0.55) RAB9AAURKAJAK3JAK2TYK2
SCHEMBL12253193 0.74 MEN1 (0.83) ALKMEN1KMT2ARAB9ATHRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 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 (1 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 ALK 3571/4885FGFR1 821/4885MEN1 3298/4885

“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.