SCHEMBL17847863

SCHEMBL17847863

CNCc1cc(Br)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
MAPK13 O15264 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
TAAR1 Q96RJ0 2/20 0.35

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
SCHEMBL4307817 0.80 KCNH2 (0.43) KCNH2MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL10061638 0.78 KDM1A (0.49) KCNH2MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL31416644 0.77
SCHEMBL539467 0.77
SCHEMBL30001281 0.77 NPSR1 (0.50) KDM4ECYP1A2CYP3A4MAPTCYP2C9
SCHEMBL15543495 0.77 NPSR1 (0.50) KDM4ECYP1A2CYP3A4MAPTCYP2C9
SCHEMBL21527214 0.76 NOS3 (0.52) KCNH2MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL10061637 0.76 MAPK13 (0.40) KCNH2MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL29705247 0.76 KDM4E (0.38) KDM4ECYP1A2CYP3A4MAPTCYP2C9
SCHEMBL1050596 0.76 KDM4E (0.38) KDM4ECYP1A2CYP3A4MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
WO-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
WO-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
US-10428043-B2 Green oxidation catalytic system TRUSTEES OF BOSTON UNIVERSITY (US) 2019-10-01 US disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
US-20180297976-A1 GREEN OXIDATION CATALYTIC SYSTEM TRUSTEES OF BOSTON UNIVERSITY (US) 2018-10-18 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
WO-2016100850-A2 GREEN OXIDATION CATALYTIC SYSTEM TRUSTEES OF BOSTON UNIVERSITY (US) 2016-06-23 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 (4 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-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 KCNH2 4622/4885MAPK13 1951/4885CSNK1D 2915/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 KCNH2 4135/4885MAPK13 3569/4885CSNK1D 1748/4885
US-10428043-B2 Green oxidation catalytic system TKT, OGDH, SOD1 KCNH2 671/4885MAPK13 2891/4885CSNK1D 1777/4885
US-20180297976-A1 GREEN OXIDATION CATALYTIC SYSTEM TKT, OGDH, SOD1 KCNH2 671/4885MAPK13 2891/4885CSNK1D 1777/4885

“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.