SCHEMBL3460702

SCHEMBL3460702

Oc1nc(-c2ccncc2)nc2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C9 P11712 1/20 0.40
MAPT P10636 2/20 0.40
PTGFR P43088 1/20 0.39
ABCB1 P08183 1/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAP4K4 O95819 1/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
CDK7 P50613 1/20 0.39

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
SCHEMBL13312468 0.87 KMT2A (0.49) ABCG2MAPTPTGFRABCB1POLB
SCHEMBL14358611 0.84 STING1 (0.38) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL933042 0.83 CYP1A1 (0.44) ABCG2MAPTALDH1A1KMT2AMEN1
SCHEMBL2155318 0.82 KMT2A (0.55) CYP2C9MAPTPOLBPDE5AALDH1A1
SCHEMBL3461750 0.81 MAPK1 (0.51) SMN1; SMN2HTTABCG2NPC1RAB9A
SCHEMBL3459657 0.81 HTT (0.49) SMN1; SMN2HTTNPC1RAB9ACYP2C9
SCHEMBL13272944 0.81 HTT (0.55) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL24746905 0.79 LATS1 (0.42) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL3499729 0.76 ABCG2 (0.46) SMN1; SMN2ABCG2MAPTABCB1KMT2A
SCHEMBL3498669 0.74 HTT (0.44) HTTCYP2C9MAPTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
EP-1610774-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-16 EP disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
EP-1610774-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 EP disclosed
WO-2004092196-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 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-20070161651-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR SMN1; SMN2 3129/4885HTT 3659/4885ABCG2 2700/4885

“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.