SCHEMBL142898

SCHEMBL142898

CN(C)CCNC(=O)c1ccc2cc(-c3cc4ccccc4[nH]c3=O)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.57
KDR P35968 6/20 0.53
CHEK1 O14757 1/20 0.53
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
ITK Q08881 3/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
PARP1 P09874 1/20 0.45
ACKR3 P25106 1/20 0.43
OPRM1 P35372 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TOP2A P11388 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
SCHEMBL139863 0.94 KDR (0.59) HTR2CKDRCHEK1ALOX5KDM4E
SCHEMBL145297 0.83 HTR2C (0.56) HTR2CKDRCHEK1KDM4EALDH1A1
SCHEMBL148568 0.81 KDR (0.61) HTR2CKDRCHEK1KDM4EALDH1A1
SCHEMBL5551798 0.80 KDR (0.62) KDRCHEK1KDM4EHSD17B10PARP1
SCHEMBL14559496 0.80 KDR (0.62) KDRCHEK1KDM4EHSD17B10PARP1
SCHEMBL5429151 0.79 KDR (0.53) HTR2CKDRCHEK1KDM4EALDH1A1
SCHEMBL5368202 0.78 KDR (0.53) HTR2CKDRCHEK1KDM4EALDH1A1
SCHEMBL6333156 0.78 KDR (0.70) KDRCHEK1KDM4EHSD17B10HPGD
SCHEMBL12247922 0.75 ALOX5 (0.69) HTR2CALOX5KDM4EALDH1A1HSD17B10
SCHEMBL5354824 0.73 KDR (0.56) HTR2CKDRCHEK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 HTR2C 4715/4885KDR 1077/4885CHEK1 3154/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 HTR2C 4715/4885KDR 1077/4885CHEK1 3154/4885

“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.