SCHEMBL4016503

SCHEMBL4016503

CNCCCOc1cc(F)c(-c2c(Cl)nc(-c3ccccn3)nc2N[C@H](C)C(F)(F)F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
FFAR1 O14842 4/20 0.37
CYP1A2 P05177 1/20 0.37
METAP1 P53582 3/20 0.35
METAP2 P50579 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
IDH1 O75874 4/20 0.34
IDH2 P48735 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 3/20 0.34
LIMK1 P53667 1/20 0.34

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
SCHEMBL4017219 1.00 HRH3 (0.39) HRH3FFAR1CYP1A2METAP1METAP2
SCHEMBL4017130 1.00 HRH3 (0.39) HRH3FFAR1CYP1A2METAP1METAP2
Hydrochloric Acid SCHEMBL4017653 0.99 HRH3 (0.38) HRH3FFAR1CYP1A2METAP1METAP2
Hydrochloric Acid SCHEMBL4017655 0.99 HRH3 (0.38) HRH3FFAR1CYP1A2METAP1METAP2
SCHEMBL15626310 0.97 FFAR1 (0.38) HRH3FFAR1CYP1A2METAP1METAP2
SCHEMBL21171439 0.97 FFAR1 (0.38) HRH3FFAR1CYP1A2METAP1METAP2
SCHEMBL16989342 0.89 FFAR1 (0.36) FFAR1CYP1A2METAP1TRPM8IDH1
SCHEMBL15626286 0.89 FFAR1 (0.36) FFAR1CYP1A2METAP1TRPM8IDH1
SCHEMBL13870033 0.89 HRH3 (0.38) HRH3FFAR1CYP1A2METAP1METAP2
SCHEMBL4019003 0.88 LIMK1 (0.38) MAPK14LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663241-B1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2009-05-27 EP claimed
US-7524849-B2 Antitumor agents to treat multiple drug resistant tumors; promoters of microtubule polymerization; etherification WYETH HOLDINGS CORPORATION (US) 2009-04-28 US claimed
EP-1663241-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-06-07 EP claimed
US-20050075357-A1 5-arylpyrimidines as anticancer agents WYETH (US) 2005-04-07 US claimed
WO-2005030216-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO claimed
EP-1663241-B1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2009-05-27 EP disclosed
US-7524849-B2 Antitumor agents to treat multiple drug resistant tumors; promoters of microtubule polymerization; etherification WYETH HOLDINGS CORPORATION (US) 2009-04-28 US disclosed
EP-1663241-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-06-07 EP disclosed
US-20050075357-A1 5-arylpyrimidines as anticancer agents WYETH (US) 2005-04-07 US disclosed
WO-2005030216-A1 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 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-20050075357-A1 5-arylpyrimidines as anticancer agents DPYD, ABCC1, ARF5 HRH3 4308/4885FFAR1 4220/4885CYP1A2 3424/4885

“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.