SCHEMBL5229265

SCHEMBL5229265

Cc1n[nH]c(CNCc2cccc(Cl)c2)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
CYP3A4 P08684 3/20 0.41
P2RX7 Q99572 1/20 0.40
GRM5 P41594 2/20 0.40
EGLN2 Q96KS0 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK8 P45983 1/20 0.35
VNN1 O95497 1/20 0.35
CHRM2 P08172 1/20 0.34

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
SCHEMBL5228883 0.92 KCNH2 (0.53) KCNH2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL5227946 0.92 KCNH2 (0.48) KCNH2CYP3A4EGLN2MEN1KMT2A
SCHEMBL5228111 0.89 KCNH2 (0.53) KCNH2CYP3A4P2RX7CYP2D6CYP2C9
SCHEMBL508578 0.89 KCNH2 (0.53) KCNH2CYP3A4SCN8ACYP2D6CYP2C9
SCHEMBL5226433 0.89 KCNH2 (0.51) KCNH2CYP3A4P2RX7CYP2D6CYP2C9
SCHEMBL5228148 0.88 KCNH2 (0.53) KCNH2CYP3A4P2RX7SCN8ACYP2D6
SCHEMBL5226648 0.88 KCNH2 (0.48) KCNH2CYP3A4CYP2D6
SCHEMBL5226693 0.88 KCNH2 (0.45) KCNH2CYP3A4P2RX7CYP2D6CYP2C9
SCHEMBL5227097 0.87 KCNH2 (0.52) KCNH2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL5225076 0.86 KCNH2 (0.51) KCNH2CYP3A4MEN1KMT2ACYP2D6

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
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO claimed

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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885CYP3A4 47/4885P2RX7 2065/4885

“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.