SCHEMBL506632

SCHEMBL506632

N#Cc1ccc2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 1/20 0.50
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
CYP17A1 P05093 1/20 0.46
CYP11B1 P15538 1/20 0.46

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
SCHEMBL29843637 1.00 POLB (0.57) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31588535 1.00 POLB (0.57) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28153180 0.98 POLB (0.55) POLBNPC1RAB9AALDH1A1SMN1; SMN2
Fluoride SCHEMBL28218511 0.98 POLB (0.55) POLBNPC1RAB9AALDH1A1SMN1; SMN2
Quinoline SCHEMBL28269682 0.95 ALDH1A1 (0.59) POLBNPC1RAB9AALDH1A1SMN1; SMN2
Isoquinoline SCHEMBL28125940 0.86 CYP11B2 (0.47) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3843536 0.85 ALDH1A1 (0.53) POLBNPC1RAB9AALDH1A1CASP1
Quinoline SCHEMBL28240764 0.84 ALDH1A1 (0.59) POLBNPC1RAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28325576 0.83 ALDH1A1 (0.52) POLBNPC1RAB9AALDH1A1CASP1
SCHEMBL27793193 0.83 ALDH1A1 (0.52) POLBNPC1RAB9AALDH1A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4058452-B1 HYDROPYRAZINO[1,2-B]ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2025-07-09 EP claimed
CN-118126272-A Preparation and application of novel transfer hydrogenation catalyst 中国人民武装警察部队后勤学院 2024-06-04 CN claimed
EP-3953356-B1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-07-26 EP claimed
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP claimed
EP-3847170-B1 NOVEL CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-06-22 EP claimed
US-20220098160-A1 NOVEL CDK 8/19 INHIBITORS BIOCAD (RU) 2022-03-31 US claimed
CN-111668536-B Preparation method of metal aluminum-cyano organic matter secondary battery 北京科技大学 2021-03-23 CN claimed
CN-111668536-A Preparation method of metal aluminum-cyano organic matter secondary battery 北京科技大学 2020-09-15 CN claimed
CN-110229102-A 2- is alkylated quinoline, derivative and its synthetic method 湘潭大学 2019-09-13 CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
CN-109071462-A Quinazoline derivative or salt thereof and pharmaceutical composition containing the same 柳韩洋行 2018-12-21 CN claimed
CN-105025899-B Having a2AHeterobicyclically substituted- [1,2,4 ] antagonists]Triazolo [1,5-c]Quinazoline-5-amine compounds 默沙东公司 2017-08-18 CN claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
CN-103930418-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2014-07-16 CN claimed
CN-103857675-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2014-06-11 CN claimed
CN-103328452-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2013-09-25 CN claimed
CN-102917590-A Trycyclic compounds and pbk inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-02-06 CN claimed
WO-2008048967-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2008-04-24 WO claimed
CN-1237963-A Quinoline derivatives inhibiting the action of growth factors such as VEGF ZENECA LTD (GB) 1999-12-08 CN claimed
EP-0675111-A2 Process for the preparation of 6-hydroxymethyl-quinolines BASF AKTIENGESELLSCHAFT (DE) 1995-10-04 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20220098160-A1 NOVEL CDK 8/19 INHIBITORS CDK8, CDK9, CDK18 POLB 139/4885NPC1 3811/4885RAB9A 1088/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR POLB 1829/4885NPC1 917/4885RAB9A 1863/4885

“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.