SCHEMBL17438422

SCHEMBL17438422

O=C(NC1[C@H]2CNC[C@@H]12)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.53
NAAA Q02083 1/20 0.53
CPB1 P15086 2/20 0.53
HTR2C P28335 1/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX1 P07099 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL17438421 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHRNAAACPB1
SCHEMBL15748998 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHRNAAACPB1
SCHEMBL19015180 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHRNAAACPB1
Hydrochloric Acid SCHEMBL29890850 0.98 ALDH1A1 (0.55) ALDH1A1GAATSHRNAAACPB1
Hydrochloric Acid SCHEMBL29891152 0.98 ALDH1A1 (0.55) ALDH1A1GAATSHRNAAACPB1
SCHEMBL30260013 0.87 ALDH1A1 (0.56) ALDH1A1GAATSHRNAAACPB1
SCHEMBL1006562 0.86 ALDH1A1 (0.65) ALDH1A1GAATSHRNAAACPB1
SCHEMBL21653774 0.85 ALDH1A1 (0.45) ALDH1A1GAATSHRNAAACPB1
Hydrochloric Acid SCHEMBL25328114 0.85 ALDH1A1 (0.63) ALDH1A1GAATSHRNAAACPB1
SCHEMBL8094832 0.84 HTR2C (0.47) ALDH1A1GAATSHRNAAACPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368192-A1 Nitrogen-Containing Heterocyclic Compound, and Preparation Method Therefor, Intermediate Thereof, and Application Thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-11-07 US disclosed
EP-4365178-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF Shanghai Allist Pharmaceuticals Co., Ltd. (CN) 2024-05-08 EP disclosed
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN disclosed
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 US disclosed
WO-2022022364-A1 PYRROLIDINE INTEGRIN MODULATOR AND USE THEREOF 清药同创(北京)药物研发中心有限公司 2022-02-03 WO disclosed
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 EP disclosed
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 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 (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-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 ALDH1A1 3733/4885GAA 405/4885TSHR 3953/4885
US-20240368192-A1 Nitrogen-Containing Heterocyclic Compound, and Preparation Method Therefor, Intermediate Thereof, and Application Thereof KRAS, NRAS, HRAS ALDH1A1 2187/4885GAA 3006/4885TSHR 4716/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 ALDH1A1 3733/4885GAA 405/4885TSHR 3953/4885
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 ALDH1A1 3324/4885GAA 2393/4885TSHR 2858/4885

“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.