SCHEMBL4022015

SCHEMBL4022015

Fc1cc(F)c(-c2c(Cl)nc(-c3ccc[nH]3)nc2NCC(F)(F)F)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.32
ABCG2 Q9UNQ0 3/20 0.32
CDK2 P24941 3/20 0.32
ABCC1 P33527 2/20 0.32
TGFBR1 P36897 1/20 0.32
PIM1 P11309 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
IRAK1 P51617 1/20 0.31
SGK1 O00141 1/20 0.31
PRKCI P41743 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL13870040 0.86 SGK1 (0.32) ABCB1ABCG2ABCC1TGFBR1IRAK1
SCHEMBL4016508 0.82 POLB (0.39) ABCG2SGK1PRKCI
SCHEMBL4018990 0.81 MAT2A (0.32) IRAK1
SCHEMBL4018804 0.81 MAPT (0.38)
SCHEMBL4020007 0.79 ABCG2 (0.38) ABCG2
SCHEMBL4017115 0.79 GPR39 (0.41) TGFBR1
SCHEMBL4021900 0.78 PDE5A (0.42) ABCG2
SCHEMBL4026069 0.78 AR (0.37) CDK2
SCHEMBL4023848 0.78 NPC1 (0.37) IRAK1
SCHEMBL4018995 0.76 IDH2 (0.32) SGK1

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 7 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
US-20050075357-A1 5-arylpyrimidines as anticancer agents WYETH (US) 2005-04-07 US 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
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
US-20050075357-A1 5-arylpyrimidines as anticancer agents WYETH (US) 2005-04-07 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-20050075357-A1 5-arylpyrimidines as anticancer agents DPYD, ABCC1, ARF5 ABCB1 5/4885ABCG2 50/4885CDK2 2287/4885

“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.