SCHEMBL9611731

SCHEMBL9611731

Cc1nc2ccccc2n1-c1ccc(-c2cc3ccc4ccccc4c3c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ CACNG8 Q8WXS5 1/20 0.38
▸ CACNG2 Q9Y698 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
SCHEMBL9976890 0.92 MAPK1 (0.47) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL12912482 0.91 MAPK1 (0.51) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL9976953 0.87 MAPK1 (0.59) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL9976882 0.87 PDE10A (0.43) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL9611911 0.87 ESR1 (0.55) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9611797 0.86 MAPK1 (0.57) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL9976878 0.85 ESR1 (0.50) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9976883 0.85 CRBN (0.45) MAPK1HTTSMN1; SMN2CYP1A2PDE10A
SCHEMBL25112775 0.84 MAPK1 (0.49) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL12912441 0.83 MAPK1 (0.54) MAPK1HTTTSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 — — US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 — — US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 — — US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 — — US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 — — US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 — — US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 — — 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-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 MAPK1 655/4885HTT 1594/4885TSHR 1676/4885

“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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