SCHEMBL19732057

SCHEMBL19732057

Cn1c2cc(C#N)ccc2c2ccc(-c3ccc4c5ccccc5n(C)c4c3C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ EGFR P00533 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ L3MBTL1 Q9Y468 7/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ GPR3 P46089 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL17032695 0.82 GPR3 (0.57) EGFRSRCL3MBTL1MEN1KMT2A
SCHEMBL16441272 0.76 CASP3 (0.38) EGFRSRCL3MBTL1MEN1KMT2A
SCHEMBL17032696 0.76 PTGER4 (0.43) RXRARXRBEGFRSRCL3MBTL1
SCHEMBL16376468 0.75 ALKBH5 (0.53) RXRARXRBHSP90AA1IDO1L3MBTL1
SCHEMBL18030923 0.74 L3MBTL1 (0.41) EGFRSRCL3MBTL1MEN1KMT2A
SCHEMBL18031007 0.73 GPR3 (0.46) EGFRSRCL3MBTL1MEN1KMT2A
SCHEMBL17034312 0.73 RXRA (0.45) RXRARXRBEGFRSRCL3MBTL1
SCHEMBL9103614 0.73 GPR3 (0.57) EGFRSRCL3MBTL1MEN1KMT2A
SCHEMBL21547058 0.73 CYP11B2 (0.35) EGFRSRCHSP90AA1IDO1L3MBTL1
SCHEMBL18030939 0.72 ALKBH5 (0.39) EGFRSRCL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968229-B2 Seven-membered ring compounds IDEMITSU KOSAN CO., LTD. (JP) 2021-04-06 — — US disclosed
US-10689385-B2 Benzimidazolo[1,2-A]benzimidazole carrying aryl- or arylnitril groups for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2020-06-23 — — US disclosed
US-20190119291-A1 SEVEN-MEMBERED RING COMPOUNDS IDEMITSU KOSAN CO., LTD. (JP) 2019-04-25 — — US disclosed
US-20180086763-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING ARYL- OR HETEROARYLNITRIL GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2018-03-29 — — US disclosed
US-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) IDEMITSU KOSAN CO., LTD. (JP) 2017-12-21 — — 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 (5 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-20180086763-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING ARYL- OR HETEROARYLNITRIL GROUPS FOR ORGANIC LIGHT EMITTING DIODES GABRE, TRPA1, TMBIM6 RXRA 1314/4885RXRB 970/4885EGFR 2035/4885
US-20190119291-A1 SEVEN-MEMBERED RING COMPOUNDS MCM7, XPO7, LUC7L2 RXRA 4668/4885RXRB 4801/4885EGFR 2749/4885
US-10968229-B2 Seven-membered ring compounds MCM7, XPO7, LUC7L2 RXRA 4668/4885RXRB 4801/4885EGFR 2749/4885
US-10689385-B2 Benzimidazolo[1,2-A]benzimidazole carrying aryl- or arylnitril groups for organic light emitting diodes KCNB1, KCNJ2, KCNB2 RXRA 2425/4885RXRB 1899/4885EGFR 2849/4885
US-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) OCIAD1, OCIAD2, DDT RXRA 4102/4885RXRB 3980/4885EGFR 2591/4885

“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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