SCHEMBL19213252

SCHEMBL19213252

c1ccc(-c2cccc3c2n(-c2ccccc2)c2c4cccc(-c5ccccc5)c4n(-c4ccccc4)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ LTK P29376 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ ACVR1 Q04771 1/20 0.41
▸ TNK2 Q07912 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL21666163 0.94 KDM4E (0.45) KDM4EL3MBTL1ATMNPC1RAB9A
SCHEMBL21157068 0.85 AVPR1A (0.41) KDM4EL3MBTL1ATMNPC1RAB9A
SCHEMBL22019064 0.84 CYP2A6 (0.47) KDM4EL3MBTL1ATMNPC1RAB9A
SCHEMBL21042125 0.84 ALDH1A1 (0.47) KDM4EL3MBTL1ATMNPC1RAB9A
SCHEMBL19237142 0.84 RAB9A (0.49) KDM4ENPC1RAB9AALDH1A1AVPR1A
SCHEMBL17853075 0.84 ABCG2 (0.41) KDM4EL3MBTL1ATMMAPK1ABCG2
SCHEMBL19011135 0.84 ALKBH5 (0.42) KDM4EL3MBTL1ATMNPC1RAB9A
SCHEMBL16491724 0.83 L3MBTL1 (0.59) KDM4EL3MBTL1ATMNPC1RAB9A
SCHEMBL19237143 0.83 KDM4E (0.42) KDM4EL3MBTL1ATMNPC1RAB9A
SCHEMBL23008268 0.82 L3MBTL1 (0.49) KDM4EL3MBTL1ATMNPC1RAB9A

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
US-10193070-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2019-01-29 — — US disclosed
US-20170229654-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-08-10 — — US disclosed
US-20170229654-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-08-10 — — 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 (2 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-10193070-B2 Electroactive materials EPX, INA, KCNN2 KDM4E 3758/4885L3MBTL1 4688/4885ATM 4054/4885
US-20170229654-A1 ELECTROACTIVE MATERIALS EPX, INA, KCNN2 KDM4E 3758/4885L3MBTL1 4688/4885ATM 4054/4885

“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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