SCHEMBL13006399

SCHEMBL13006399

c1ccc(-c2cc(-c3cccc4ccccc34)cc(-c3cccc(-n4c5ccccc5c5cnccc54)n3)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CCR1 P32246 2/20 0.37
▸ CCR5 P51681 2/20 0.37
▸ CCR8 P51685 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL12161367 0.95 TNF (0.43) TNFHTR2CKDM4EMAPK1SMN1; SMN2
SCHEMBL3392129 0.92 TNF (0.39) TNFKDM4ETP53MAPK1SMN1; SMN2
SCHEMBL13006424 0.91 CYP11B1 (0.40) KDM4ETP53MAPK1SMN1; SMN2MAPT
SCHEMBL13006563 0.91 CCR1 (0.41) KDM4ETP53MAPK1SMN1; SMN2MAPT
SCHEMBL13006468 0.89 HSP90AA1 (0.33) TNFKDM4ETP53MAPK1SMN1; SMN2
SCHEMBL12756926 0.89 MAPT (0.40) KDM4ETP53MAPK1SMN1; SMN2MAPT
SCHEMBL13006392 0.89 MAPT (0.43) TNFHTR2CKDM4ETP53MAPK1
SCHEMBL13006547 0.89 CCR1 (0.39) KDM4ETP53MAPK1SMN1; SMN2MAPT
SCHEMBL13006389 0.89 CYP19A1 (0.39) KDM4ETP53MAPK1SMN1; SMN2MAPT
SCHEMBL3394813 0.88 CYP19A1 (0.39) KDM4ETP53MAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246351-B1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE BONDED WITH SUBSTITUTED PYRIDYL GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2015-05-06 — — EP disclosed
US-8624228-B2 Compound having pyridoindole ring structure bonded with substituted pyridyl group, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2014-01-07 — — US disclosed
US-8624228-B2 Compound having pyridoindole ring structure bonded with substituted pyridyl group, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2014-01-07 — — US disclosed
US-20100308322-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE BONDED WITH SUBSTITUTED PYRIDYL GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co,. Ltd. (JP) 2010-12-09 — — US disclosed
US-20100308322-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE BONDED WITH SUBSTITUTED PYRIDYL GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co,. Ltd. (JP) 2010-12-09 — — US disclosed
EP-2246351-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE BONDED WITH SUBSTITUTED PYRIDYL GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2010-11-03 — — EP 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-20100308322-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE BONDED WITH SUBSTITUTED PYRIDYL GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE KCNH3, KCNH2, PRDM9 TNF 4508/4885HTR2C 1877/4885KDM4E 1240/4885

“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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