SCHEMBL4966684

SCHEMBL4966684

O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cnc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.58
ATF1 P18846 1/20 0.58
P2RX1 P51575 1/20 0.55
P2RX4 Q99571 1/20 0.55
P2RX7 Q99572 1/20 0.55
TMPRSS4 Q9NRS4 1/20 0.55
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
NR3C1 P04150 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GMNN O75496 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL4969220 0.90 NFKB1 (0.47) NFKB1ATF1P2RX1P2RX4P2RX7
SCHEMBL4966677 0.88 RAB9A (0.51) NFKB1ATF1SMN1; SMN2NPC1RAB9A
SCHEMBL5414532 0.88 P2RX1 (0.64) NFKB1ATF1P2RX1P2RX4P2RX7
SCHEMBL1585024 0.87 NFKB1 (0.52) NFKB1ATF1P2RX1P2RX4P2RX7
SCHEMBL4970824 0.86 P2RX1 (0.54) P2RX1P2RX4P2RX7NR3C1SMN1; SMN2
SCHEMBL4967737 0.86 P2RX1 (0.58) P2RX1P2RX4P2RX7TMPRSS4KCNQ3
SCHEMBL4969026 0.85 PTGS1 (0.54) SMN1; SMN2NPC1RAB9APTGS1
SCHEMBL4967520 0.84 RAB9A (0.53) P2RX1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4971162 0.84 RAB9A (0.51) NFKB1NR3C1SMN1; SMN2NPC1RAB9A
SCHEMBL4968696 0.84 KCNQ3 (0.56) NFKB1ATF1TMPRSS4KCNQ3KCNQ2

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 NFKB1 893/4885ATF1 2268/4885P2RX1 1373/4885

“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.