SCHEMBL9945342

SCHEMBL9945342

N#Cc1ccc(C(c2ccc(C#N)cc2)n2ccnn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 1.00
CYP3A4 P08684 1/20 0.53
CYP11B1 P15538 1/20 0.53
TSHR P16473 1/20 0.53
CYP11B2 P19099 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL8700600 0.79 CYP19A1 (0.65) CYP19A1CYP2C19
SCHEMBL9965135 0.78 CYP19A1 (0.70) CYP19A1CYP11B1TSHRCYP11B2CYP2C19
SCHEMBL9945323 0.77 CYP19A1 (0.68) CYP19A1CYP2C19
SCHEMBL9945330 0.77 CYP19A1 (1.00) CYP19A1CYP2C19
SCHEMBL2348017 0.76 CYP19A1 (0.61) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL5865736 0.76 CYP19A1 (1.00) CYP19A1CYP3A4
SCHEMBL9192169 0.75 CYP19A1 (0.59) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL9945336 0.74 CYP19A1 (0.58) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL1242629 0.73 CYP19A1 (0.57) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL9945322 0.73 CYP19A1 (0.57) CYP19A1CYP3A4CYP11B1TSHRCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US 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-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP19A1 898/4885CYP3A4 558/4885CYP11B1 353/4885

“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.