SCHEMBL3392129

SCHEMBL3392129

c1ccc(-c2ccccc2-c2cc(-c3ccccn3)nc(-c3cccc(-n4c5ccccc5c5cnccc54)n3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.39
▸ TGFBR1 P36897 5/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCR1 P32246 2/20 0.37
▸ CCR5 P51681 2/20 0.37
▸ CCR8 P51685 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 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
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL13006389 0.93 CYP19A1 (0.39) TGFBR1CDC7CDK2CCR1CCR5
SCHEMBL13006399 0.92 TNF (0.39) TNFTGFBR1CCR1CCR5CCR8
SCHEMBL3394813 0.92 CYP19A1 (0.39) TGFBR1CDC7CDK2CCR1CCR5
SCHEMBL3392504 0.92 CYP19A1 (0.39) TGFBR1CDC7CDK2CCR1CCR5
SCHEMBL13006547 0.91 CCR1 (0.39) TGFBR1CCR1CCR5CCR8KDM4E
SCHEMBL13006563 0.91 CCR1 (0.41) TGFBR1CCR1CCR5CCR8KDM4E
SCHEMBL13006489 0.90 CYP19A1 (0.37) TGFBR1CDC7CDK2CCR1CCR5
SCHEMBL13006391 0.90 TGFBR1 (0.39) TGFBR1CCR1CCR5CCR8KDM4E
SCHEMBL13006497 0.90 TGFBR1 (0.39) TGFBR1CCR1CCR5CCR8KDM4E
SCHEMBL12756926 0.89 MAPT (0.40) TGFBR1CCR1CCR5CCR8KDM4E

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 8 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-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
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 4508/4885TGFBR1 337/4885CDC7 3176/4885

“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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