SCHEMBL720425

SCHEMBL720425

COC(=O)c1cn(Cc2ccccc2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.53
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
SCD O00767 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PARP1 P09874 1/20 0.45
AR P10275 1/20 0.45
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44
KLK1 P06870 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
P2RX7 Q99572 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6052401 0.85 ALDH1A1 (0.56) KLKB1KMT2AALDH1A1LMNASCD
SCHEMBL14343418 0.84 KLKB1 (0.53) KLKB1KMT2AALDH1A1LMNASCD
SCHEMBL20798456 0.82 KLKB1 (0.52) KLKB1KMT2AALDH1A1LMNASCD
SCHEMBL6036115 0.82 KMT2A (0.47) KLKB1KMT2AALDH1A1LMNASCD
SCHEMBL2325474 0.79 KLKB1 (0.47) KLKB1KMT2AALDH1A1LMNASCD
SCHEMBL15687631 0.79 PARP1 (0.47) KLKB1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL841237 0.79 ALDH1A1 (0.51) KMT2AALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4763215 0.78 KLKB1 (0.42) KLKB1KMT2AALDH1A1LMNASCD
Hydrochloric Acid SCHEMBL6319641 0.77 KLKB1 (0.55) KLKB1KMT2AALDH1A1LMNASCD
SCHEMBL259686 0.76 HDAC1 (0.48) KLKB1ALDH1A1LMNASCDHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10118913-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-11-06 US disclosed
US-10053450-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-08-21 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2015-07-30 US disclosed
WO-2015095767-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF 3-V BIOSCIENCES, INC. (US) 2015-06-25 WO disclosed
WO-2015095767-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF 3-V BIOSCIENCES, INC. (US) 2015-06-25 WO disclosed
EP-2870150-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2015-05-13 EP disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 WO disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 WO disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KLKB1 4439/4885KMT2A 1298/4885ALDH1A1 504/4885
US-10118913-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 KLKB1 4643/4885KMT2A 3613/4885ALDH1A1 879/4885
US-10053450-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 KLKB1 4643/4885KMT2A 3613/4885ALDH1A1 879/4885
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 KLKB1 4643/4885KMT2A 3613/4885ALDH1A1 879/4885
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof FASN, FADS1, COASY KLKB1 4761/4885KMT2A 3050/4885ALDH1A1 959/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KLKB1 4439/4885KMT2A 1298/4885ALDH1A1 504/4885
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 KLKB1 4643/4885KMT2A 3613/4885ALDH1A1 879/4885

“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.