SCHEMBL4789657

SCHEMBL4789657

C1=C(c2ccncc2)CCNC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
HTR2C P28335 9/20 0.62
QDPR P09417 3/20 0.60
HRH3 Q9Y5N1 1/20 0.50
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL16228956 0.84 SIGMAR1 (0.51) SIGMAR1HTR2CQDPR
SCHEMBL14085320 0.81 LMNA (0.42) SIGMAR1HTR2CQDPRHRH3MAPT
SCHEMBL2416944 0.80 SIGMAR1 (0.65) SIGMAR1HTR2CQDPRHRH3ALDH1A1
Hydrochloric Acid SCHEMBL3676212 0.79 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR2AHTR6
SCHEMBL415545 0.78 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRHTR2AHTR6
Hydrochloric Acid SCHEMBL17667427 0.78 HTR2C (0.66) SIGMAR1HTR2CQDPRHRH3ALDH1A1
SCHEMBL4790511 0.78 SIGMAR1 (0.57) SIGMAR1HTR2CQDPRHRH3TGFBR1
SCHEMBL4789542 0.77 SIGMAR1 (0.47) SIGMAR1HTR2CQDPRHRH3KDM4E
SCHEMBL12193536 0.77 SIGMAR1 (0.61) SIGMAR1HTR2CQDPRHRH3HTR2A
SCHEMBL23303799 0.77 SIGMAR1 (0.51) SIGMAR1HTR2CQDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
CN-107501275-B It can be used as the compound of ATR kinase inhibitor Votex Pharmaceutical Co., Ltd. (US) 2019-11-22 CN disclosed
CN-107501274-B It can be used as the compound of ATR kinase inhibitor Votex Pharmaceutical Co., Ltd. (US) 2019-11-22 CN disclosed
US-9180123-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2015-11-10 US disclosed
US-20150182513-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2015-07-02 US disclosed
US-9018384-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2015-04-28 US disclosed
US-20140343031-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-11-20 US disclosed
US-8846933-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-09-30 US disclosed
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER (US) 2014-05-08 US disclosed
US-8664401-B2 N-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-03-04 US disclosed
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. 2012-10-11 US disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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 (5 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-20150182513-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT SIGMAR1 4540/4885HTR2C 4272/4885QDPR 2466/4885
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, LCT, HAX1 SIGMAR1 4059/4885HTR2C 4223/4885QDPR 921/4885
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT SIGMAR1 4540/4885HTR2C 4272/4885QDPR 2466/4885
US-20140343031-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT SIGMAR1 4540/4885HTR2C 4272/4885QDPR 2466/4885
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 SIGMAR1 243/4885HTR2C 222/4885QDPR 91/4885

“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.