SCHEMBL509280

SCHEMBL509280

N#Cc1cc(C#N)cc(Oc2cn[nH]c2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.41
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 4/20 0.33
METAP2 P50579 1/20 0.33
KDM4C Q9H3R0 1/20 0.31
FLT3 P36888 1/20 0.30

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
SCHEMBL4733455 0.81 CYP19A1 (0.53) KCNH2CYP19A1CYP11B1CYP11B2
SCHEMBL509920 0.74 HDAC6 (0.41)
SCHEMBL7070749 0.70 SMN1; SMN2 (0.50) KCNH2CYP19A1
Hydrochloric Acid SCHEMBL2450441 0.69
SCHEMBL28096086 0.69
SCHEMBL7074972 0.68 EPAS1 (0.44)
SCHEMBL7077215 0.68 GRM5 (0.40) KCNH2CYP19A1
SCHEMBL6169112 0.68 ALDH1A1 (0.38) CYP19A1KDM4C
SCHEMBL7069974 0.67 PDE4A (0.50) CYP19A1
SCHEMBL29619624 0.67 ALDH1A1 (0.58) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
EP-1542679-B1 4-(3,5-DICYANOPHENOXY) PYRAZOLE DERIVATIVES FOR USE AS TRANSCRIPTASE MODULATORS IN THE TREATMENT OF I.A. HIV PFIZER LTD (GB) 2007-01-17 EP disclosed
CN-1681494-A 4- (3, 5-dicyano-phenoxy) pyrazole derivatives as reverse transcriptase modulators in the treatment of i.a.hiv PFIZER (US) 2005-10-12 CN disclosed
EP-1542679-A1 4-(3,5-DICYANOPHENOXY) PYRAZOLE DERIVATIVES FOR USE AS TRANSCRIPTASE MODULATORS IN THE TREATMENT OF I.A. HIV Pfizer Limited (GB) 2005-06-22 EP disclosed
EP-1542679-A1 4-(3,5-DICYANOPHENOXY) PYRAZOLE DERIVATIVES FOR USE AS TRANSCRIPTASE MODULATORS IN THE TREATMENT OF I.A. HIV Pfizer Limited (GB) 2005-06-22 EP disclosed
WO-2004024147-A1 4-(3,5-DICYANOPHENOXY) PYRAZOLE DERIVATIVES FOR USE AS TRANSCRIPTASE MODULATORS IN THE TREATMENT OF I.A. HIV PFIZER LIMITED (GB) 2004-03-25 WO disclosed
WO-2004024147-A1 4-(3,5-DICYANOPHENOXY) PYRAZOLE DERIVATIVES FOR USE AS TRANSCRIPTASE MODULATORS IN THE TREATMENT OF I.A. HIV PFIZER LIMITED (GB) 2004-03-25 WO 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-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885CYP19A1 1179/4885CYP11B1 417/4885

“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.