SCHEMBL5229314

SCHEMBL5229314

Cc1n[nH]c(CN[C@@H](C)c2ccccc2)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.50
CYP3A4 P08684 4/20 0.41
RORC P51449 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER2 P43116 1/20 0.33
CASR P41180 2/20 0.32
EP300 Q09472 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL5261967 1.00 KCNH2 (0.50) KCNH2CYP3A4RORCCYP2C9CYP2D6
SCHEMBL5227177 0.88 KCNH2 (0.48) KCNH2CYP3A4RORCCYP2C9CYP2D6
SCHEMBL5228883 0.83 KCNH2 (0.53) KCNH2CYP3A4RORCCYP2C9CYP2D6
SCHEMBL5225752 0.82 KCNH2 (0.51) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL508951 0.80 KCNH2 (0.51) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5229447 0.80 KCNH2 (0.48) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5225976 0.79 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5228111 0.79 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL508578 0.79 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL508351 0.78 KCNH2 (0.47) KCNH2CYP3A4RORCCYP2C9CYP2D6

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 47/4885RORC 364/4885

“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.