SCHEMBL6497565

SCHEMBL6497565

N#CCc1nc(C(F)(F)F)cs1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
HBB P68871 1/20 0.35
LMNA P02545 1/20 0.33
PDPK1 O15530 1/20 0.31
SCN9A Q15858 1/20 0.31
PTGS2 P35354 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
SCHEMBL5100418 0.86 ALDH1A1 (0.35) ALDH1A1RAB9AUSP2POLBHPGD
SCHEMBL5094054 0.81 ALDH1A1 (0.51) ALDH1A1RAB9AUSP2POLBHPGD
SCHEMBL9807117 0.77 ALDH1A1 (0.38) ALDH1A1RAB9AUSP2POLBHPGD
SCHEMBL16716199 0.76 LMNA (0.36) MEN1KMT2ALMNASCN9A
SCHEMBL17887327 0.75 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL485332 0.75 SCN9A (0.37) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL20907801 0.75 LOXL2 (0.36) MEN1KMT2ALMNASCN9A
SCHEMBL20534645 0.75 LMNA (0.35) MEN1KMT2ALMNASCN9A
SCHEMBL2305852 0.75 IDH1 (0.36) MEN1KMT2ALMNASCN9A
SCHEMBL13104068 0.75 LMNA (0.38) ALDH1A1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PROMIDIS S.R.L. (IT) 2024-04-04 US disclosed
EP-4288431-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2023-12-13 EP disclosed
WO-2022167682-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-08-11 WO disclosed
US-20140287916-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-25 US disclosed
US-20140287916-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-25 US disclosed
US-20140287916-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-25 US disclosed
EP-2773622-A1 PESTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2014-09-10 EP disclosed
WO-2013064518-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 WO disclosed
WO-2013064518-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 WO disclosed
CN-101360743-A Polycyclic 1,2,3, 4-tetrahydro-isoquinoline derivatives and compositions containing them as PPAR modulators IRM LLC (VG) 2009-02-04 CN disclosed
CN-1236767-C Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2006-01-18 CN disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
CN-1377269-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-10-30 CN disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 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 (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-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PTPN22, PTPN2, PTPN5 ALDH1A1 3046/4885RAB9A 1496/4885USP2 865/4885
US-20140287916-A1 PESTICIDAL COMPOUNDS DDT, C5, ACHE ALDH1A1 1170/4885RAB9A 1264/4885USP2 3222/4885

“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.