SCHEMBL4385503

SCHEMBL4385503

Ic1ccc(-c2ccccn2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.61
▸ LMNA P02545 3/20 0.61
▸ CCR1 P32246 3/20 0.61
▸ CCR5 P51681 3/20 0.61
▸ CCR8 P51685 3/20 0.61
▸ P4HTM Q9NXG6 3/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ METAP1 P53582 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ DOHH Q9BU89 1/20 0.61
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ TP53 P04637 3/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58

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
SCHEMBL30510747 0.88 TP53 (0.67) KDM4ELMNACCR1CCR5CCR8
SCHEMBL25292599 0.88 TP53 (0.67) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22043793 0.84 NPC1 (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4390590 0.83 CCR1 (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL163378 0.79 KDM4E (0.78) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29907716 0.78 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.78 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29351528 0.78 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.78 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21636881 0.77 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020116875-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 두산솔루스 주식회사 2020-06-11 — — WO disclosed
EP-2736338-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2019-01-23 — — EP disclosed
US-8084608-B2 2,2′ -bipyridine derivative having a reactive silyl group, its production method, and transition metal complex SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-12-27 — — US disclosed
US-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-03 — — US disclosed
EP-2128165-A1 2, 2´-bipyridine derivatives having reactive silyl group, production methods, transition metal complexes thereof Shin-Etsu Chemical Co., Ltd. (JP) 2009-12-02 — — 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-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX CBR3, TST, HRH3 KDM4E 3085/4885LMNA 4659/4885CCR1 380/4885

“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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