SCHEMBL17116727

SCHEMBL17116727

N#Cc1cnccc1-c1ccc(-c2nc(-c3ccc(-c4ccncc4C#N)cc3)nc(-c3ccc(-c4ccncc4C#N)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2A6 P11509 2/20 0.41
▸ LATS1 O95835 2/20 0.41
▸ LATS2 Q9NRM7 1/20 0.41
▸ GPR119 Q8TDV5 3/20 0.40
▸ CYP2E1 P05181 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ HASPIN Q8TF76 1/20 0.39
▸ CYP11B1 P15538 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
SCHEMBL17116591 0.87 HTT (0.43) HTTCYP2C19PDE10ANCOA3RPS6KA3
SCHEMBL17116602 0.84 CYP1A2 (0.42) HTTCYP1A2CYP2D6CYP2A6GPR119
SCHEMBL17116100 0.83 HTT (0.45) HTTCYP1A2CYP2D6CYP2A6LATS1
SCHEMBL3990856 0.82 LRRK2 (0.54) CYP1A2CYP2D6CYP2A6GPR119CYP2E1
SCHEMBL6626450 0.82 RPS6KA3 (0.47) CYP1A2CYP2D6CYP2A6RPS6KA3CYP11B1
SCHEMBL1146097 0.81 CYP1A2 (0.57) HTTCYP1A2CYP2D6CYP2A6CYP2E1
SCHEMBL31133690 0.80 HTT (0.48) HTTCYP1A2CYP2D6CYP2A6LATS1
SCHEMBL17116528 0.80 CYP11B1 (0.43) HTTCYP1A2CYP2D6CYP2A6PDE10A
SCHEMBL15507351 0.80 MAP4K4 (0.49) GPR119
SCHEMBL18421573 0.80 CYP2A6 (0.42) HTTCYP1A2CYP2D6CYP2A6LATS1

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-20170033293-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME JNC CORPORATION (JP) 2017-02-02 — — US disclosed
WO-2015141608-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 2015-09-24 — — 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-20170033293-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLC26A3, SLC9A1, HVCN1 HTT 1812/4885CYP1A2 965/4885CYP2D6 952/4885

“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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