SCHEMBL2220970

SCHEMBL2220970

C=Cc1c(-c2ccc(F)cc2)nc(NS(=O)(=O)CC)nc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.48
HMGCR P04035 5/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
PDE6D O43924 1/20 0.41
NR1I2 O75469 1/20 0.41
PDE4D Q08499 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL1785167 0.91 GCGR (0.40) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL2218431 0.85 GCGR (0.47) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL4164340 0.85 HMGCR (0.46) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL17975734 0.84 GCGR (0.53) GCGRKIT
SCHEMBL4907026 0.84 HMGCR (0.46) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL3264910 0.83 GCGR (0.41) GCGRKIT
SCHEMBL4773885 0.83 GCGR (0.41) GCGRKIT
SCHEMBL5187531 0.83 HMGCR (0.59) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4173374 0.83 HMGCR (0.59) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL15139859 0.81 GCGR (0.39) GCGRKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394956-B2 Process for preparing pyrimidine propenaldehyde AUROBINDO PHARMA LTD. (IN) 2013-03-12 US disclosed
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde MALLELA SAMBHU PRASAD SARMA 2011-07-21 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-20110178296-A1 Process for preparing pyrimidine propenaldehyde DPYD, NOX4, RPIA GCGR 2274/4885HMGCR 5/4885ALDH1A1 36/4885

“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.