Sugi Predict

Sugi Predict / Compounds / SCHEMBL970456

SCHEMBL970456

SCHEMBL970456

Brc1ccc2nc(-c3ccccc3)cn2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 7/20 0.69
▸ ALDH1A1 P00352 6/20 0.69
▸ ALDH1A2 O94788 1/20 0.69
▸ APP P05067 5/20 0.65
▸ NPC1 O15118 7/20 0.65
▸ RAB9A P51151 7/20 0.65
▸ KDM4E B2RXH2 4/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ HPGD P15428 2/20 0.65
▸ TP53 P04637 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ CDK5 Q00535 1/20 0.65
▸ CDK5R1 Q15078 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ POLB P06746 2/20 0.63
▸ PAX8 Q06710 1/20 0.63
▸ SLC2A1 P11166 1/20 0.61
▸ MEN1 O00255 2/20 0.59

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
SCHEMBL5302309 0.97 ALDH1A3 (0.75) ALDH1A3ALDH1A1ALDH1A2APPNPC1
SCHEMBL7605200 0.89 NPC1 (0.77) ALDH1A3ALDH1A1ALDH1A2APPNPC1
SCHEMBL973129 0.88 ALDH1A3 (0.84) ALDH1A3ALDH1A1ALDH1A2APPNPC1
Bromide SCHEMBL1691457 0.87 NPC1 (0.75) ALDH1A3ALDH1A1ALDH1A2APPNPC1
SCHEMBL971185 0.84 ALDH1A3 (0.77) ALDH1A3ALDH1A1ALDH1A2APPNPC1
SCHEMBL970956 0.84 ALDH1A3 (0.67) ALDH1A3ALDH1A1ALDH1A2APPNPC1
SCHEMBL1473062 0.84 NPC1 (0.81) ALDH1A3ALDH1A1APPNPC1RAB9A
SCHEMBL5776511 0.83 APP (0.67) ALDH1A3ALDH1A1ALDH1A2APPNPC1
SCHEMBL1472541 0.83 ALDH1A1 (0.82) ALDH1A3ALDH1A1ALDH1A2APPNPC1
SCHEMBL1691526 0.83 APP (0.66) ALDH1A3ALDH1A1ALDH1A2APPNPC1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139862-A Nitrogen-containing heterocyclic compound and medical application thereof 中国医药研究开发中心有限公司 2024-06-04 — — CN disclosed
WO-2024067694-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 中国医药研究开发中心有限公司 2024-04-04 — — WO disclosed
US-11665961-B2 Heterocyclic compound and organic light emitting device using same LT MATERIALS CO., LTD. (KR) 2023-05-30 — — US disclosed
US-11552255-B2 Heterocyclic compound and organic light-emitting element using same LT MATERIALS CO., LTD. (KR) 2023-01-10 — — US disclosed
CN-111247146-B Heterocyclic compound and organic light-emitting device using same LT素材株式会社 2022-11-01 — — CN disclosed
CN-110036013-B Heterocyclic compound and organic light-emitting device using the same LT素材株式会社 2022-04-12 — — CN disclosed
CN-110981868-B Imidazopyridine compound, pharmaceutical composition containing compound, preparation method and application thereof SUN YAT-SEN UNIVERSITY (CN) 2021-08-31 — — CN disclosed
CN-108727373-B Catalytic synthesis method of C-3-aryl seleno-imidazopyridine compound 青岛科技大学 2021-08-20 — — CN disclosed
CN-110590774-B Trifluoromethyl imidazole condensed ring compound and preparation method thereof 河南中医药大学 2020-09-08 — — CN disclosed
US-20200243775-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2020-07-30 — — US disclosed
US-7915284-B2 2-aryl-6-phenylimidazo[1,2-a]pyridine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-03-29 — — US disclosed
US-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 — — US disclosed
EP-2069342-B1 2-ARYL-6-PHENYLIMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-05-12 — — EP disclosed
US-20090253735-A1 2-ARYL-6-PHENYLIMIDAZO[1,2-a]PYRIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 — — US disclosed
EP-0199127-B1 5-(6-imidazo[1,2-a]pyridyl) pyridine derivative Eisai Co., Ltd. (JP) 1989-12-13 — — EP disclosed
US-4803276-A CARDIOTONIC AGENTS, VASODILATION EISAI CO., LTD. (JP) 1989-02-07 — — US disclosed
US-4791202-A CARDIOTONIC AGENTS; CONGESTIVE HEART FAILURE EISAI CO., LTD. (JP) 1988-12-13 — — US disclosed
US-4791203-A CARDIOTONIC AGENTS EISAI CO., LTD. (JP) 1988-12-13 — — US disclosed
US-4751227-A 3-cyano-5-(6-imidazo[1,2-a]pyridyl)pyridin-2-ols useful as cardiotonics EISAI CO., LTD. (JP) 1988-06-14 — — US disclosed
EP-0199127-A1 5-(6-imidazo[1,2-a]pyridyl) pyridine derivative Eisai Co., Ltd. (JP) 1986-10-29 — — 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 (4 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-20090253735-A1 2-ARYL-6-PHENYLIMIDAZO[1,2-a]PYRIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NCOR1, NR4A2, NR4A3 ALDH1A3 1043/4885ALDH1A1 1788/4885ALDH1A2 1466/4885
US-20200243775-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, CYP1B1, CRY2 ALDH1A3 664/4885ALDH1A1 28/4885ALDH1A2 87/4885
US-11665961-B2 Heterocyclic compound and organic light emitting device using same CRY1, CYP1B1, CRY2 ALDH1A3 664/4885ALDH1A1 28/4885ALDH1A2 87/4885
US-11552255-B2 Heterocyclic compound and organic light-emitting element using same CRY1, CRY2, PER2 ALDH1A3 953/4885ALDH1A1 95/4885ALDH1A2 108/4885

“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.