SCHEMBL4114019

SCHEMBL4114019

Cc1ccc(-c2cnc3c(N4CCNCC4C(=O)Nc4cccc(Cl)c4)ncnc3c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 2/20 0.39
AURKB Q96GD4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
EGFR P00533 4/20 0.38
MALT1 Q9UDY8 1/20 0.38
PDGFRB P09619 1/20 0.37
PAK1 Q13153 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
UBE2N P61088 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL4106746 0.93 AURKB (0.39) LIMK2AURKBSMN1; SMN2LMNAEGFR
SCHEMBL4119568 0.91 LMNA (0.41) LIMK2AURKBSMN1; SMN2LMNAEGFR
SCHEMBL3924668 0.89 AURKB (0.40) AURKBSMN1; SMN2LMNAEGFRMALT1
SCHEMBL4113609 0.88 MALT1 (0.45) MALT1PDGFRBKMT2A
SCHEMBL4108444 0.87 MAPT (0.42) SMN1; SMN2LMNAEGFRMALT1TP53
SCHEMBL4114077 0.87 LMNA (0.43) LIMK2SMN1; SMN2LMNAEGFRMALT1
SCHEMBL3924812 0.87 MAPT (0.38) AURKBSMN1; SMN2LMNAEGFRMALT1
SCHEMBL4114340 0.86 AURKA (0.42) AURKBSMN1; SMN2LMNAEGFRMALT1
SCHEMBL4423051 0.81 CFTR (0.39) LIMK2SMN1; SMN2LMNAEGFRMALT1
SCHEMBL4118121 0.80 PDGFRB (0.43) LIMK2EGFRMALT1PDGFRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (4 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO LIMK2 3063/4885AURKB 1644/4885SMN1; SMN2 2873/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP LIMK2 2948/4885AURKB 2382/4885SMN1; SMN2 709/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP LIMK2 2948/4885AURKB 2382/4885SMN1; SMN2 709/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP LIMK2 2948/4885AURKB 2382/4885SMN1; SMN2 709/4885

“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.