SCHEMBL4968696

SCHEMBL4968696

O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cc(F)cnc1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.56
▸ KCNQ2 O43526 2/20 0.56
▸ KCNE1 P15382 2/20 0.56
▸ KCNQ1 P51787 2/20 0.56
▸ GRM4 Q14833 3/20 0.47
▸ TMPRSS4 Q9NRS4 3/20 0.47
▸ XPO1 O14980 1/20 0.44
▸ ABL1 P00519 2/20 0.43
▸ THRB P10828 1/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ JUN P05412 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ BRAF P15056 1/20 0.41
▸ ATF1 P18846 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL4969158 0.90 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1GRM4
SCHEMBL4969767 0.88 GRM4 (0.59) GRM4TMPRSS4BRAF
SCHEMBL4966413 0.86 BRAF (0.47) KCNQ3KCNQ2KCNE1KCNQ1GRM4
SCHEMBL4966684 0.84 NFKB1 (0.58) KCNQ3KCNQ2KCNE1KCNQ1TMPRSS4
SCHEMBL4970352 0.82 KCNQ3 (0.54) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4967737 0.81 P2RX1 (0.58) KCNQ3KCNQ2KCNE1KCNQ1TMPRSS4
SCHEMBL4970824 0.80 P2RX1 (0.54) ABL1
SCHEMBL4969220 0.79 NFKB1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1TMPRSS4
SCHEMBL4971162 0.78 RAB9A (0.51) NFKB1NFKB2RELA
SCHEMBL4967520 0.78 RAB9A (0.53) KCNQ3KCNQ2KCNE1KCNQ1ABL1

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-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 — — US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 — — EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 — — EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 — — US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 — — 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS KCNQ3 3613/4885KCNQ2 3979/4885KCNE1 3966/4885

“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.

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