SCHEMBL12912465

SCHEMBL12912465

Cc1nc2cc(-c3cc4c5ccccc5ccc4c4ccccc34)ccc2n1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NPC1 O15118 8/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ MAPT P10636 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SYK P43405 2/20 0.38
▸ HPRT1 P00492 3/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ TDO2 P48775 1/20 0.36

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
SCHEMBL12912458 0.91 KDM4E (0.54) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL12912436 0.87 PDE10A (0.48) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL9976908 0.86 ALDH1A1 (0.49) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL9611740 0.86 KDM4E (0.49) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL24811942 0.80 KDM4E (0.58) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL16433652 0.79 ALDH1A1 (0.47) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL12912534 0.78 RAB9A (0.48) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL9976969 0.78 HDAC1 (0.52) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL13128467 0.78 KDM4E (0.46) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL9976955 0.77 HDAC1 (0.51) KDM4EALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8945724-B2 Nitrogen-containing heterocyclic derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-02-03 — — US disclosed
US-8945724-B2 Nitrogen-containing heterocyclic derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-02-03 — — US disclosed
US-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-20 — — US disclosed
US-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-20 — — 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-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NUDC, TYR, NUDT1 KDM4E 427/4885ALDH1A1 1960/4885LMNA 1286/4885

“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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