SCHEMBL1343907

SCHEMBL1343907

CC(NC(=O)O)c1ccc(Cl)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HTT P42858 1/20 0.44
▸ S1PR3 Q99500 3/20 0.44
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL17782059 0.87 HTT (0.44) MEN1KMT2AHTTLMNAMAPT
SCHEMBL29150632 0.82 CNR1 (0.43) MEN1KMT2AHTTS1PR3LMNA
SCHEMBL1343874 0.81 GPR139 (0.48) HTTLMNAMAPTCYP1A2CYP2C9
SCHEMBL14830882 0.78 S1PR3 (0.40) MEN1KMT2AS1PR3LMNACYP1A2
SCHEMBL23114100 0.77 HTT (0.41) MEN1KMT2AHTTLMNACYP1A2
SCHEMBL22660107 0.77 MAPK1 (0.50) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL22660106 0.77 MAPK1 (0.50) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL23113901 0.77 HTT (0.41) MEN1KMT2AHTTLMNAMAPT
SCHEMBL15952194 0.77 S1PR3 (0.39) MEN1KMT2AS1PR3CYP1A2CYP2C9
SCHEMBL1345465 0.76 HTT (0.66) MEN1KMT2AHTTLMNACYP2C9

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-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 — — US disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 — — 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-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP MEN1 3352/4885KMT2A 1133/4885HTT 3719/4885

“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.

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