SCHEMBL595219

SCHEMBL595219

COCCNc1cnc(F)cc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ NCF1 P14598 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ KCNH3 Q9ULD8 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ FYN P06241 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ LDHA P00338 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ GRIN2B Q13224 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
SCHEMBL594259 0.79 GAA (0.36) ALDH1A1KDM4ESMN1; SMN2P2RX3P2RX2
SCHEMBL29063547 0.72 APP (0.30) —
SCHEMBL17581219 0.69 CYP1A2 (0.54) LMNAALDH1A1KDM4EHCAR3KCNH3
SCHEMBL16505576 0.69 LMNA (0.39) LMNANCF1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL594407 0.67 XDH (0.30) —
SCHEMBL29965599 0.67 XDH (0.30) —
SCHEMBL25211327 0.67 PLAU (0.38) ALDH1A1KDM4ESMN1; SMN2SYKHPGD
SCHEMBL25376293 0.66 PDCD1 (0.40) ALDH1A1MAPTMEN1GAAHTT
SCHEMBL23235738 0.66 ALDH1A1 (0.44) LMNANCF1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30269662 0.66 ALDH1A1 (0.44) LMNANCF1ALDH1A1KDM4ESMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679396-B Triazolylaminopyrimidine compounds LILLY CO ELI 2012-06-06 — — CN disclosed
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
CN-101679396-A Triazolylaminopyrimidine compounds LILLY CO ELI 2010-03-24 — — CN disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 — — EP disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 — — WO 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 LMNA 4572/4885NCF1 1465/4885ALDH1A1 578/4885

“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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