SCHEMBL5245264

SCHEMBL5245264

COc1cc(OC)c(NC(=O)Nc2nnc(C(F)(F)F)s2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.58
RAF1 P04049 2/20 0.57
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
HTT P42858 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
S1PR2 O95136 1/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
HIF1A Q16665 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
SRPK1 Q96SB4 1/20 0.46

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
SCHEMBL6371951 0.92 RAF1 (0.60) CYP2C9RAF1TSHRHSD17B10NPC1
SCHEMBL6371875 0.92 CYP2C9 (0.55) CYP2C9RAF1TSHRHSD17B10NPC1
SCHEMBL6378798 0.92 CYP2C9 (0.55) CYP2C9RAF1TSHRHSD17B10NPC1
SCHEMBL6372230 0.90 RAF1 (0.54) CYP2C9RAF1TSHRHSD17B10NPC1
SCHEMBL6377909 0.88 RAF1 (0.57) CYP2C9RAF1TSHRHSD17B10NPC1
SCHEMBL6370755 0.88 RAF1 (0.57) CYP2C9RAF1TSHRHSD17B10NPC1
SCHEMBL6377898 0.87 RAF1 (0.56) CYP2C9RAF1TSHRHSD17B10NPC1
SCHEMBL6371395 0.87 RAF1 (0.56) CYP2C9RAF1TSHRHSD17B10NPC1
SCHEMBL6371343 0.87 RAF1 (0.56) CYP2C9RAF1TSHRHSD17B10NPC1
SCHEMBL6371389 0.87 RAF1 (0.56) CYP2C9RAF1TSHRHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor PFIZER INC 2006-06-29 US claimed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US claimed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US claimed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO claimed
EP-1831683-A1 METHODS OF MODULATING THE ACTIVITIES OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR Pfizer Products Inc. (US) 2007-09-12 EP disclosed
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor PFIZER INC 2006-06-29 US disclosed
WO-2006067611-A1 METHODS OF MODULATING THE ACTIVITIES OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR PFIZER PRODUCTS INC. (US) 2006-06-29 WO disclosed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 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 (5 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 CYP2C9 2134/4885RAF1 3533/4885TSHR 369/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 CYP2C9 2134/4885RAF1 3533/4885TSHR 369/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 CYP2C9 2134/4885RAF1 3533/4885TSHR 369/4885
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor CHRNA7, CHRNA5, CHRNA4 CYP2C9 4450/4885RAF1 3513/4885TSHR 722/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 CYP2C9 1978/4885RAF1 3979/4885TSHR 344/4885

“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.