SCHEMBL10200323

SCHEMBL10200323

NC(=O)c1ccc(-c2ccc3c(n2)OCCNC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
IKBKB O14920 2/20 0.37
MAPK1 P28482 1/20 0.36
CHEK1 O14757 2/20 0.36
JAK2 O60674 1/20 0.36
MTOR P42345 2/20 0.36
CHUK O15111 1/20 0.35
MYC P01106 2/20 0.35
SCN9A Q15858 1/20 0.34
ATR Q13535 1/20 0.34
TGFBR1 P36897 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
CSNK1G2 P78368 1/20 0.34
PRKD1 Q15139 1/20 0.34
MAPK14 Q16539 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CG P48736 1/20 0.33

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 SCHEMBL2110512 0.93 IKBKB (0.36) MAP4K4IKBKBMAPK1CHEK1JAK2
SCHEMBL15936423 0.89 RARA (0.38) CHEK1MTORPIK3CAPIK3CG
SCHEMBL2111895 0.84 ALDH1A1 (0.42) MTORPIK3CAPIK3CG
SCHEMBL2110562 0.80 MAPK13 (0.36) CSNK1DCSNK1EMAPK14
SCHEMBL2111484 0.80 ENPP3 (0.34) MTOR
SCHEMBL2110366 0.80 PNMT (0.37) IKBKBMAPK1
SCHEMBL29990900 0.80 MAP3K14 (0.37) SCN9A
SCHEMBL2109259 0.80 HTR2C (0.38)
Trifluoroacetic Acid SCHEMBL2111852 0.80 SSTR4 (0.39) SCN9A
SCHEMBL10249555 0.80 MTOR (0.34) MTORPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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 (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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B MAP4K4 1909/4885IKBKB 1739/4885MAPK1 1614/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B MAP4K4 1909/4885IKBKB 1739/4885MAPK1 1614/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B MAP4K4 1909/4885IKBKB 1739/4885MAPK1 1614/4885

“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.