SCHEMBL2716992

SCHEMBL2716992

CCc1n[nH]c(CC)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 1.00
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
PGR P06401 1/20 0.37
CYP2C19 P33261 1/20 0.36
PROKR1 Q8TCW9 1/20 0.31
EPAS1 Q99814 3/20 0.31
VEGFA P15692 2/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ARNT P27540 1/20 0.31
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL2717764 0.91 KCNH2 (1.00) KCNH2CYP3A4CYP2C9CYP2D6PGR
SCHEMBL10250900 0.88 KCNH2 (0.78) KCNH2CYP3A4CYP2C9CYP2D6PGR
SCHEMBL508362 0.87 KCNH2 (0.76) KCNH2CYP3A4PROKR1MAPT
SCHEMBL2716852 0.86 KCNH2 (1.00) KCNH2CYP3A4CYP2C9PGRCYP2C19
SCHEMBL4810817 0.85 KCNH2 (0.83) KCNH2CYP3A4CYP2C9PGRCYP2C19
SCHEMBL508797 0.81 KCNH2 (0.76) KCNH2PGREPAS1
SCHEMBL4109180 0.80 KCNH2 (0.75) KCNH2PGR
SCHEMBL509689 0.80 KCNH2 (0.79) KCNH2CYP3A4CYP2C9PGRCYP2C19
SCHEMBL14302751 0.78 KCNH2 (0.64) KCNH2CYP3A4CYP2C9CYP2D6PGR
SCHEMBL4109780 0.78 KCNH2 (0.71) KCNH2CYP3A4CYP2C9CYP2D6PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP claimed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US claimed
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
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US claimed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US 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 (2 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-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885CYP3A4 55/4885CYP2C9 366/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885CYP3A4 47/4885CYP2C9 248/4885

“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.