SCHEMBL16945583

SCHEMBL16945583

Cc1cc(C#N)ccc1-c1cc2c3cc4c(cc3c(-c3ccc(C#N)cc3C)cc2c2ccccc12)-c1cccc2c(-c3ccccn3)ccc-4c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ EGLN2 Q96KS0 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ GRM5 P41594 8/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ FFAR1 O14842 2/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL16945599 1.00 KCNH2 (0.41) KCNH2ABCG2EGLN2KDM4EALDH1A1
SCHEMBL16945584 0.89 GRM5 (0.38) KCNH2ABCG2EGLN2KDM4EALDH1A1
SCHEMBL18597275 0.89 GRM5 (0.38) KCNH2ABCG2EGLN2KDM4EALDH1A1
SCHEMBL16945594 0.88 MAPK14 (0.42) KCNH2ABCG2EGLN2KDM4EALDH1A1
SCHEMBL16945595 0.88 MAPK14 (0.42) KCNH2ABCG2EGLN2KDM4EALDH1A1
SCHEMBL16945582 0.85 TGFBR1 (0.42) ABCG2HTR2CGRM5METAP2METAP1
SCHEMBL18597362 0.85 TGFBR1 (0.42) ABCG2HTR2CGRM5METAP2METAP1
SCHEMBL16948817 0.84 GRM5 (0.46) ABCG2KDM4EALDH1A1MAPTTSHR
SCHEMBL18597269 0.84 GRM5 (0.46) ABCG2KDM4EALDH1A1MAPTTSHR
SCHEMBL16949308 0.84 EGLN2 (0.38) KCNH2EGLN2KDM4EMAPTCYP11B1

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
EP-2882707-B1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING SYSTEM, AND IMAGE FORMING APPARATUS HAVING THE COMPOUND CANON KK (JP) 2017-03-08 — — EP disclosed
US-20150212450-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING SYSTEM, AND IMAGE FORMING APPARATUS HAVING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2015-07-30 — — US disclosed
US-20150212450-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING SYSTEM, AND IMAGE FORMING APPARATUS HAVING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2015-07-30 — — 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-20150212450-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING SYSTEM, AND IMAGE FORMING APPARATUS HAVING THE COMPOUND COG1, OCIAD1, COG6 KCNH2 1164/4885ABCG2 3893/4885EGLN2 4272/4885

“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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