SCHEMBL595185

SCHEMBL595185

CC(NC(=O)O)c1cnc(F)cc1I

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
ROCK2 O75116 2/20 0.34
FOLH1 Q04609 1/20 0.31
MAPK1 P28482 4/20 0.31
CYP3A4 P08684 1/20 0.31
GRIN2B Q13224 1/20 0.30
AGBL2 Q5U5Z8 1/20 0.30
FFAR1 O14842 1/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL595670 0.84 L3MBTL1 (0.33) L3MBTL1MAPK1MEN1PKMKMT2A
SCHEMBL594933 0.81 L3MBTL1 (0.36) L3MBTL1MAPK1MEN1PKMKMT2A
SCHEMBL594641 0.80 KMT2A (0.40) L3MBTL1MAPK1KMT2ASMN1; SMN2
SCHEMBL594120 0.74 PDE2A (0.30)
SCHEMBL596213 0.74
SCHEMBL25171164 0.72 AGBL2 (0.40) L3MBTL1MAPK1AGBL2
SCHEMBL25171163 0.72 AGBL2 (0.40) L3MBTL1MAPK1AGBL2
SCHEMBL595570 0.71 PDE2A (0.34)
SCHEMBL27774847 0.71
SCHEMBL392186 0.70 P2RY14 (0.33) AGBL2FFAR1PKMSMN1; SMN2

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-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 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-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP L3MBTL1 2675/4885ROCK2 3040/4885FOLH1 264/4885

“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.