SCHEMBL24492871

SCHEMBL24492871

c1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)n6)c5)cc(-n5c6ccccc6c6ccccc65)c4)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.49
▸ CYP2A6 P11509 3/20 0.44
▸ MAPT P10636 4/20 0.41
▸ CYP11B1 P15538 2/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ CYP11B2 P19099 3/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ KARS1 Q15046 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ PTK2 Q05397 1/20 0.38

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
SCHEMBL22428510 0.95 CYP19A1 (0.45) CYP19A1CYP2A6MAPTCYP11B1GRM5
SCHEMBL21973988 0.91 CYP19A1 (0.60) CYP19A1CYP2A6MAPTCYP11B1CYP11B2
SCHEMBL24493058 0.89 MEN1 (0.46) CYP19A1CYP2A6MAPTCYP11B1GRM5
SCHEMBL23843484 0.89 CYP19A1 (0.51) CYP19A1CYP2A6MAPTCYP11B1GRM5
SCHEMBL24492872 0.88 ATM (0.37) CYP19A1CYP2A6MAPTCYP11B1GRM5
SCHEMBL24492882 0.87 MAOA (0.38) CYP19A1CYP2A6MAPTCYP11B1GRM5
SCHEMBL18560751 0.87 MAPT (0.45) CYP19A1CYP2A6MAPTCYP11B1GRM5
SCHEMBL22428569 0.87 KMT2A (0.40) MAPTGRM5DHODHKDM4ELMNA
SCHEMBL22428571 0.87 MKNK1 (0.44) CYP19A1CYP2A6MAPTCYP11B1GRM5
SCHEMBL22428511 0.86 MAOA (0.39) CYP19A1MAPTGRM5KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177454-A1 TRISUBSTITUTED BENZENE COMPOUND HAVING NITROGEN-CONTAINING HETERO RING IN MOLECULAR TERMINUS AND ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2022-06-09 — — 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-20220177454-A1 TRISUBSTITUTED BENZENE COMPOUND HAVING NITROGEN-CONTAINING HETERO RING IN MOLECULAR TERMINUS AND ORGANIC ELECTROLUMINESCENCE ELEMENT ETV6, LEF1, TEAD2 CYP19A1 2451/4885CYP2A6 2586/4885MAPT 2481/4885

“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.

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