SCHEMBL2580463

SCHEMBL2580463

O=c1[nH]ccc2nc(Br)sc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
SCD O00767 1/20 0.38
PARP1 P09874 3/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
PDPK1 O15530 4/20 0.34
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
JAK2 O60674 1/20 0.31
RPS6KA3 P51812 1/20 0.31
MELK Q14680 1/20 0.31
STK24 Q9Y6E0 1/20 0.31
SPR P35270 1/20 0.31
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL4402264 0.81 RAB9A (0.41) NPC1RAB9ASCDPARP1SMN1; SMN2
SCHEMBL12075201 0.79 SCD (0.37) NPC1RAB9APOLBSCDPARP1
SCHEMBL18237571 0.75 TLR8 (0.37) NPC1RAB9ASCDSMN1; SMN2MAPT
SCHEMBL18857267 0.75 PDPK1 (0.43) NPC1RAB9APOLBSCDPARP1
SCHEMBL28561318 0.74 SMN1; SMN2 (0.47) NPC1RAB9ASCDPARP1MAPK1
SCHEMBL2582411 0.72 ALDH1A1 (0.44) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL12154294 0.72 RAB9A (0.43) NPC1RAB9APARP1SMN1; SMN2MAPT
SCHEMBL10187249 0.71 RAB9A (0.32) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL792405 0.71 TYK2 (0.45) NPC1RAB9ASCDPARP1SMN1; SMN2
SCHEMBL23996116 0.70 PDPK1 (0.35) SCDPARP1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-07-06 US disclosed
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-07-06 US disclosed
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-07-06 US disclosed
CN-115811977-A Allosteric EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所股份有限公司 2023-03-17 CN disclosed
WO-2021252661-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-12-16 WO disclosed
EP-2089397-B1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-08-29 EP disclosed
EP-2089397-B1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-08-29 EP disclosed
US-8049013-B2 5- [4-(azetidin-3-yloxy)-phenyl]-2-phenyl-5H-thiazolo[5,4-C] pyridin-4-one derivatives and their use as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
US-8049013-B2 5- [4-(azetidin-3-yloxy)-phenyl]-2-phenyl-5H-thiazolo[5,4-C] pyridin-4-one derivatives and their use as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
US-8049013-B2 5- [4-(azetidin-3-yloxy)-phenyl]-2-phenyl-5H-thiazolo[5,4-C] pyridin-4-one derivatives and their use as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
US-20100069352-A1 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-18 US disclosed
US-20100069352-A1 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-18 US disclosed
US-20100069352-A1 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-18 US disclosed
EP-2089397-A1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-08-19 EP disclosed
WO-2008076562-A1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL] -2-PHENYL-5H-THIAZ0L0 [5,4-C] PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-06-26 WO disclosed
WO-2008076562-A1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL] -2-PHENYL-5H-THIAZ0L0 [5,4-C] PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-06-26 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 (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-20100069352-A1 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, HCRTR1 NPC1 330/4885RAB9A 3702/4885POLB 4555/4885
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 NPC1 3094/4885RAB9A 2350/4885POLB 1472/4885

“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.