SCHEMBL19083018

SCHEMBL19083018

Cc1nc2c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc(Cl)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.54
P2RX4 Q99571 1/20 0.54
P2RX7 Q99572 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
PTGES O14684 11/20 0.53
ATF1 P18846 1/20 0.51
NFKB1 P19838 1/20 0.51
NR3C1 P04150 2/20 0.48
AHR P35869 1/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
NPC1 O15118 1/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL19064507 0.88 P2RX1 (0.55) P2RX1P2RX4P2RX7TMPRSS4PTGES
SCHEMBL29577337 0.88 P2RX1 (0.55) P2RX1P2RX4P2RX7TMPRSS4PTGES
SCHEMBL23512207 0.80 P2RX1 (0.56) P2RX1P2RX4P2RX7TMPRSS4ATF1
SCHEMBL21645628 0.78 PTGES (0.54) TMPRSS4PTGESATF1NFKB1NPC1
SCHEMBL30899219 0.78 PTGES (0.54) TMPRSS4PTGESATF1NFKB1NPC1
SCHEMBL30899214 0.77 PTGES (0.52) TMPRSS4PTGESDHODH
SCHEMBL21645366 0.77 PTGES (0.52) TMPRSS4PTGESDHODH
SCHEMBL21645373 0.77 MAPT (0.47) P2RX1P2RX4P2RX7PTGESNFKB1
SCHEMBL30899218 0.77 MAPT (0.47) P2RX1P2RX4P2RX7PTGESNFKB1
SCHEMBL23512180 0.74 P2RX1 (0.55) P2RX1P2RX4P2RX7TMPRSS4ATF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190675-A1 CHEMICAL MODULATORS OF IMMUNE CHECKPOINTS AND THERAPEUTIC USE DUKE UNIVERSITY 2017-07-06 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-20170190675-A1 CHEMICAL MODULATORS OF IMMUNE CHECKPOINTS AND THERAPEUTIC USE CD274, PDCD1, PDCD1LG2 P2RX1 1425/4885P2RX4 1249/4885P2RX7 1903/4885

“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.