SCHEMBL5414532

SCHEMBL5414532

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.64
P2RX4 Q99571 2/20 0.64
P2RX7 Q99572 2/20 0.64
TMPRSS4 Q9NRS4 2/20 0.64
NFKB1 P19838 2/20 0.60
ATF1 P18846 1/20 0.60
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55
TYK2 P29597 1/20 0.55
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
KCNE1 P15382 1/20 0.54
KCNQ1 P51787 1/20 0.54
NR3C1 P04150 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL24823427 0.88 P2RX1 (0.66) P2RX1P2RX4P2RX7TMPRSS4NFKB1
SCHEMBL4966684 0.88 NFKB1 (0.58) P2RX1P2RX4P2RX7TMPRSS4NFKB1
SCHEMBL5423454 0.86 RAB9A (0.57) P2RX1P2RX4P2RX7TMPRSS4SMN1; SMN2
SCHEMBL4967913 0.83 ABL1 (0.64) NPC1RAB9AMEN1KMT2A
SCHEMBL1585024 0.83 NFKB1 (0.52) P2RX1P2RX4P2RX7TMPRSS4NFKB1
SCHEMBL27083743 0.81 TMPRSS4 (0.52) TMPRSS4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL28049181 0.80 KCNQ3 (0.50) P2RX1P2RX4P2RX7TMPRSS4NFKB1
SCHEMBL24684142 0.80 NFKB1 (0.51) P2RX1P2RX4P2RX7TMPRSS4NFKB1
SCHEMBL16616963 0.80 MEN1 (0.61) P2RX1P2RX4P2RX7TMPRSS4NFKB1
SCHEMBL22892728 0.78 NFKB1 (0.63) P2RX1P2RX4P2RX7TMPRSS4NFKB1

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 3 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
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS P2RX1 1373/4885P2RX4 1521/4885P2RX7 1555/4885

“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.