SCHEMBL1602901

SCHEMBL1602901

Fc1ccc(Cc2cc(-c3ccncc3)n[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
RET P07949 1/20 0.48
KDR P35968 1/20 0.48
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
NTRK1 P04629 1/20 0.44
CYP17A1 P05093 3/20 0.43
KDM4E B2RXH2 1/20 0.42
AR P10275 1/20 0.42
CYP3A4 P08684 2/20 0.41
CA12 O43570 1/20 0.41
ALPL P05186 1/20 0.41
RPA1 P27694 1/20 0.41
MAPK14 Q16539 2/20 0.41
COMT P21964 1/20 0.40
GSK3B P49841 1/20 0.40
CYP19A1 P11511 1/20 0.40
GCGR P47871 1/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL28172289 0.91 MAPT (0.63) MAPTRETKDRCYP11B1CYP11B2
SCHEMBL5096941 0.86 SMN1; SMN2 (0.50) MAPTCYP11B1CYP11B2CYP17A1KDM4E
SCHEMBL14311768 0.85 CYP11B1 (0.57) MAPTRETKDRCYP11B1CYP11B2
SCHEMBL5096712 0.84 CYP11B1 (0.59) CYP11B1CYP11B2COMTGSK3B
SCHEMBL5103794 0.84 HCAR2 (0.54) CYP11B1CYP11B2NTRK1CYP17A1CYP3A4
SCHEMBL5100649 0.84 MAPT (0.50) MAPTRETKDRCYP11B1CYP11B2
SCHEMBL5110899 0.81 F2 (0.42) MAPTRETKDRCYP11B1CYP11B2
SCHEMBL5100746 0.81 CYP11B1 (0.47) MAPTCYP11B1CYP11B2MAPK14COMT
SCHEMBL5104024 0.81 HRH3 (0.48) CYP11B1CYP11B2MAPK14COMTGSK3B
SCHEMBL5096786 0.81 COMT (0.58) MAPTCYP11B1CYP11B2CYP17A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919488-B2 Therapeutic compounds PFIZER INC. (US) 2011-04-05 US disclosed
US-7919488-B2 Therapeutic compounds PFIZER INC. (US) 2011-04-05 US disclosed
US-7919488-B2 Therapeutic compounds PFIZER INC. (US) 2011-04-05 US disclosed
CN-101511812-A Pyrazole derivatives as cytochrome P450 inhibitors PFIZER PROD INC (US) 2009-08-19 CN disclosed
EP-2046774-A1 PYRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS Pfizer Products Inc. (US) 2009-04-15 EP disclosed
US-20080021011-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2008-01-24 US disclosed
US-20080021011-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2008-01-24 US disclosed
US-20080021011-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2008-01-24 US disclosed
WO-2008004096-A1 PYRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
WO-2008004096-A1 PYRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
WO-2008004100-A2 THERAPEUTIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
WO-2008004100-A2 THERAPEUTIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 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-20080021011-A1 THERAPEUTIC COMPOUNDS SLC10A1, PCSK9, CFTR MAPT 404/4885RET 4112/4885KDR 4115/4885

“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.