SCHEMBL12877484

SCHEMBL12877484

Nc1nc(S)ncc1CO

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
PDXK O00764 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13909713 0.81 LMNA (0.36) LMNAKDM4E
SCHEMBL9409112 0.79 DHFR (0.44) LMNA
SCHEMBL7560692 0.78
SCHEMBL2493947 0.77 LMNA (0.39) LMNAPDXKKDM4EALDH1A1HPGD
SCHEMBL479344 0.75 LMNA (0.61) LMNAKDM4EALDH1A1
SCHEMBL11284274 0.75 LMNA (0.66) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28840489 0.74 PLAU (0.38)
Hydrochloric Acid SCHEMBL6520994 0.73 LMNA (0.59) LMNAKDM4EALDH1A1
SCHEMBL8445448 0.73 LMNA (0.59) LMNAKDM4EALDH1A1
SCHEMBL5726466 0.73 FEN1 (0.33) LMNA

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-7893259-B2 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-02-22 US disclosed
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-7504406-B2 Derivatives of pyrido[2,3-d]pyrimidine, the preparation thereof, and the therapeutic application of the same SANOFI-AVENTIS (FR) 2009-03-17 US disclosed
US-20080176874-A1 Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same SANOFI-AVENTIS (FR) 2008-07-24 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-20080176874-A1 Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same DPYD, TYMP, TYMS LMNA 2379/4885PDXK 12/4885KDM4E 2063/4885
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF DPYD, PNPO, TYMP LMNA 2577/4885PDXK 4/4885KDM4E 3372/4885

“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.