Sugi Predict

Sugi Predict / Compounds / SCHEMBL2979131

SCHEMBL2979131

SCHEMBL2979131

O=[N+]([O-])c1cn(Cc2ccccc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.56
▸ PKM P14618 1/20 0.56
▸ CYP2E1 P05181 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2A6 P11509 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2B6 P20813 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HPGDS O60760 1/20 0.49
▸ KDM5A P29375 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ KDM5B Q9UGL1 1/20 0.45
▸ TNIK Q9UKE5 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL18961342 0.86 ALDH1A1 (0.56) TAAR1ALDH1A1PKMCYP2E1CYP3A4
SCHEMBL21199185 0.84 SOS1 (0.58) TAAR1ALDH1A1PKML3MBTL1KDM5A
SCHEMBL1395967 0.84 TAAR1 (0.63) TAAR1ALDH1A1PKML3MBTL1
Hydrochloric Acid SCHEMBL19468892 0.83 TAAR1 (0.62) TAAR1ALDH1A1PKML3MBTL1
SCHEMBL18961327 0.83 ALDH1A1 (0.59) TAAR1ALDH1A1PKMCYP3A4CYP2D6
SCHEMBL1839643 0.81 TAAR1 (0.48) TAAR1ALDH1A1PKML3MBTL1
SCHEMBL11050558 0.81 ALDH1A1 (0.54) TAAR1ALDH1A1PKML3MBTL1TNIK
SCHEMBL31655424 0.81 TAAR1 (0.53) TAAR1ALDH1A1PKML3MBTL1MAPT
SCHEMBL29277952 0.81 ALDH1A1 (0.51) TAAR1ALDH1A1PKML3MBTL1NPC1
SCHEMBL18940385 0.80 KDM4C (0.54) TAAR1ALDH1A1PKMCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 — — US disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 — — EP disclosed
CN-112262139-B Aminopyrrolotriazines as kinase inhibitors 百时美施贵宝公司 2023-07-25 — — CN disclosed
CN-111592534-B New compounds 特殊治疗有限公司 2023-06-30 — — CN disclosed
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-04 — — US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 — — US disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 — — US disclosed
EP-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 — — EP disclosed
CN-112262139-A Aminopyrrolotriazines as kinase inhibitors 百时美施贵宝公司 2021-01-22 — — CN disclosed
EP-3743430-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-12-02 — — EP disclosed
US-9926307-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2018-03-27 — — US disclosed
US-20170247365-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2017-08-31 — — US disclosed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 — — US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 — — US disclosed
CN-101282941-A Imidazole compounds for the treatment of neurological disorders PFIZER (US) 2008-10-08 — — CN disclosed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 — — EP disclosed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 — — WO disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 — — 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 (7 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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 TAAR1 42/4885ALDH1A1 807/4885PKM 1359/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 TAAR1 42/4885ALDH1A1 807/4885PKM 1359/4885
US-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 TAAR1 3533/4885ALDH1A1 300/4885PKM 4454/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 TAAR1 3533/4885ALDH1A1 300/4885PKM 4454/4885
US-20170247365-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 TAAR1 3221/4885ALDH1A1 285/4885PKM 4470/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 TAAR1 3221/4885ALDH1A1 285/4885PKM 4470/4885
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors RIPK1, RIPK2, RIPK4 TAAR1 3381/4885ALDH1A1 4108/4885PKM 1362/4885

“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.