SCHEMBL31408151

SCHEMBL31408151

c1ccc(Cn2ccnc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 15/20 0.59
CYP11B2 P19099 11/20 0.59
CYP19A1 P11511 5/20 0.59
POLB P06746 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
MAPT P10636 1/20 0.59
TBXAS1 P24557 1/20 0.59
QPCT Q16769 1/20 0.59
CYP4Z1 Q86W10 1/20 0.59
QPCTL Q9NXS2 1/20 0.59
CYP17A1 P05093 1/20 0.53
CYP2A6 P11509 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C9 P11712 1/20 0.48

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
SCHEMBL2716739 1.00 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL17997350 0.82 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL8337928 0.82 TBXAS1 (0.54) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
SCHEMBL1586517 0.81 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL30880299 0.80 ALDH1A1 (0.52) CYP1A2MAPT
SCHEMBL7475272 0.80 ALDH1A1 (0.52) CYP1A2MAPT
SCHEMBL14829642 0.80 CYP3A4 (0.55) CYP19A1CYP3A4CYP2D6TBXAS1CYP2C9
SCHEMBL12841354 0.79 ALDH1A1 (0.50) CYP1A2MAPT
SCHEMBL2047732 0.78 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL2051043 0.76 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613459-A Method for continuously synthesizing silane coupling agent through pipelining and N-heterocyclic carbene complex catalyst used by same 浙江大学 2025-03-14 CN claimed
US-12194448-B2 Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same THE GEORGE WASHINGTON UNIVERSITY (US) 2025-01-14 US claimed
CN-119613459-A Method for continuously synthesizing silane coupling agent through pipelining and N-heterocyclic carbene complex catalyst used by same 浙江大学 2025-03-14 CN 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-12194448-B2 Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same MLX, LDHA, CA2 CYP11B1 2753/4885CYP11B2 2830/4885CYP19A1 2426/4885

“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.