SCHEMBL14331115

SCHEMBL14331115

N#Cc1ccc(-n2c3ccncc3c3c4ccc5cc6c(c7ccc(cc32)c4c57)c2cnccc2n6-c2ccc(C#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.44
▸ CHUK O15111 1/20 0.36
▸ USP14 P54578 1/20 0.36
▸ TDP2 O95551 7/20 0.35
▸ CYP11B2 P19099 3/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA5 P30532 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL14329624 0.83 TOP2A (0.42) —
SCHEMBL15865944 0.80 KIF11 (0.42) CYP19A1CHUKTDP2
SCHEMBL14329649 0.80 MAPK10 (0.42) CYP19A1CYP11B2CYP11B1CYP17A1
SCHEMBL14330540 0.79 MAOA (0.40) —
SCHEMBL14329632 0.78 TOP2A (0.33) —
SCHEMBL14329646 0.78 KCNH2 (0.34) CYP19A1CDC7
SCHEMBL14329639 0.78 TOP2A (0.40) CYP11B1NCOA3
SCHEMBL14329611 0.76 MAPK10 (0.39) CYP19A1CDC7
SCHEMBL14330617 0.76 REN (0.36) —
SCHEMBL14329614 0.75 KIF11 (0.38) CYP19A1CHUKTDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D CYP19A1 57/4885CHUK 980/4885USP14 3289/4885

“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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