SCHEMBL422306

SCHEMBL422306

Cc1csc2ncnc(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.44
PIP4K2C Q8TBX8 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 6/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NOD2 Q9HC29 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 3/20 0.36
MAP4K4 O95819 2/20 0.36
CLK2 P49760 2/20 0.36
MAP4K2 Q12851 2/20 0.36

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
SCHEMBL23599237 0.79 MAP4K4 (0.50) MRGPRX1IRAK4PIP4K2CSMN1; SMN2RAB9A
SCHEMBL30323242 0.79 MAPT (0.53) MRGPRX1IRAK4PIP4K2CSMN1; SMN2RAB9A
SCHEMBL438061 0.79 MAPT (0.53) MRGPRX1IRAK4PIP4K2CSMN1; SMN2RAB9A
SCHEMBL23599233 0.79 MRGPRX1 (0.45) MRGPRX1IRAK4PIP4K2CSMN1; SMN2HTT
SCHEMBL1901292 0.79 MAP4K4 (0.53) MRGPRX1IRAK4PIP4K2CSMN1; SMN2RAB9A
SCHEMBL23938229 0.79 MAP4K4 (0.41) MRGPRX1IRAK4PIP4K2CSMN1; SMN2HTT
SCHEMBL1905402 0.79 MRGPRX1 (0.45) MRGPRX1IRAK4PIP4K2CSMN1; SMN2RAB9A
SCHEMBL4572139 0.76 MRGPRX1 (0.43) MRGPRX1IRAK4PIP4K2CSMN1; SMN2RAB9A
SCHEMBL21347954 0.76 MRGPRX1 (0.43) MRGPRX1IRAK4PIP4K2CSMN1; SMN2RAB9A
SCHEMBL13019361 0.76 MRGPRX1 (0.43) MRGPRX1IRAK4PIP4K2CSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
EP-3313849-B1 NEW HYDROXYACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2023-02-22 EP disclosed
WO-2021129737-A1 COMPOUND HAVING KHK INHIBITORY EFFECT 南京明德新药研发有限公司 2021-07-01 WO disclosed
EP-3313851-B1 NEW HYDROXYESTER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-11-06 EP disclosed
EP-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 EP disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
EP-2476679-A2 Substituted triazoles useful as AXL inhibitors Rigel Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
EP-2407451-A1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors Otsuka Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 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-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MRGPRX1 886/4885IRAK4 4742/4885PIP4K2C 2700/4885
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS ITGB6, ITGA5, ITGAV MRGPRX1 2780/4885IRAK4 2045/4885PIP4K2C 1634/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 MRGPRX1 886/4885IRAK4 4742/4885PIP4K2C 2700/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MRGPRX1 886/4885IRAK4 4742/4885PIP4K2C 2700/4885
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT KHK, KHDRBS1, KHSRP MRGPRX1 2268/4885IRAK4 509/4885PIP4K2C 727/4885
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MRGPRX1 907/4885IRAK4 4736/4885PIP4K2C 2699/4885
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 MRGPRX1 44/4885IRAK4 1218/4885PIP4K2C 2727/4885

“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.