SCHEMBL518082

SCHEMBL518082

Clc1ccc(OCc2ccccn2)nn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
HTR2C P28335 1/20 0.45
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GRM5 P41594 2/20 0.41
LMNA P02545 1/20 0.41
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL8965572 0.80 SYK (0.47) SYKHTR2CSMN1; SMN2ALDH1A1KDM4E
SCHEMBL19153471 0.79 KDM4E (0.58) SYKHTR2CNPC1SMN1; SMN2RAB9A
SCHEMBL31219824 0.77 ALDH1A1 (0.50) NPC1SMN1; SMN2ALDH1A1CYP2D6CYP2C19
SCHEMBL518381 0.77 ALDH1A1 (0.50) NPC1SMN1; SMN2ALDH1A1CYP2D6CYP2C19
SCHEMBL11354880 0.76 SMN1; SMN2 (0.51) SYKNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10502456 0.75 SYK (0.49) SYKHTR2CNPC1SMN1; SMN2RAB9A
SCHEMBL3557243 0.74 SYK (0.48) SYKHTR2CNPC1SMN1; SMN2RAB9A
SCHEMBL23529993 0.74 SYK (0.48) SYKSMN1; SMN2LMNAABCB1HTR1A
SCHEMBL29565833 0.72 KDM4E (0.55) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL22654857 0.72 KDM4E (0.55) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
US-8968708-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2015-03-03 US disclosed
EP-2328898-B1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI SA (FR) 2014-12-24 EP disclosed
US-8784782-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2014-07-22 US disclosed
US-8673917-B2 2-heteroaryl-pyrrolo [3,4-C]pyrrole derivatives, and use thereof as SCD inhibitors SANOFI (FR) 2014-03-18 US disclosed
US-8673917-B2 2-heteroaryl-pyrrolo [3,4-C]pyrrole derivatives, and use thereof as SCD inhibitors SANOFI (FR) 2014-03-18 US disclosed
US-8673917-B2 2-heteroaryl-pyrrolo [3,4-C]pyrrole derivatives, and use thereof as SCD inhibitors SANOFI (FR) 2014-03-18 US disclosed
US-20130071536-A1 COMPOUNDS COMPRISING LINKED HETEROARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2013-03-21 US disclosed
US-20120028986-A1 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2012-02-02 US disclosed
US-20120028986-A1 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2012-02-02 US disclosed
US-20120028986-A1 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2012-02-02 US disclosed
EP-2328898-A1 2-HETEROARYL-PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THE USE THEREOF AS SCD INHIBITORS Sanofi-aventis (FR) 2011-06-08 EP disclosed
WO-2010028761-A1 2-HETEROARYL-PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THE USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 WO disclosed
WO-2010028761-A1 2-HETEROARYL-PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THE USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 WO disclosed
CN-101384183-A Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX INC (US) 2009-03-11 CN disclosed
EP-1850681-A2 COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS Senomyx, Inc. (US) 2007-11-07 EP disclosed
US-20060263411-A1 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. 2006-11-23 US disclosed
WO-2006084186-A2 COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2006-08-10 WO 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 (3 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 SYK 551/4885HTR2C 625/4885NPC1 1320/4885
US-20120028986-A1 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS SCD, SCD5, PC SYK 2472/4885HTR2C 3772/4885NPC1 993/4885
US-20060263411-A1 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions TAS2R46, TAS2R30, TAS2R50 SYK 4446/4885HTR2C 593/4885NPC1 3581/4885

“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.