SCHEMBL5755656

SCHEMBL5755656

C=CCn1c(=O)[nH]c(=O)n(-c2cccc(OC)c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.58
NTRK2 Q16620 7/20 0.58
IGF1R P08069 5/20 0.58
FGFR1 P11362 5/20 0.58
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GFER P55789 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 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
SCHEMBL11632467 0.81 NTRK1 (0.50) NTRK1NTRK2IGF1RFGFR1ALDH1A1
SCHEMBL5758129 0.79 GNRHR (0.59) NTRK1NTRK2IGF1RFGFR1
SCHEMBL5754581 0.76 GNRHR (0.64)
SCHEMBL8321111 0.74 CYP1A2 (0.65) NTRK1NTRK2IGF1RFGFR1CYP1A2
SCHEMBL21295403 0.74 NTRK1 (1.00) NTRK1NTRK2IGF1RFGFR1CYP1A2
SCHEMBL3030044 0.71 CYP1A2 (0.64) NTRK1NTRK2IGF1RFGFR1CYP1A2
SCHEMBL1260643 0.70 KDM4E (0.51) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL21295418 0.70 NTRK1 (0.91) NTRK1NTRK2IGF1RFGFR1CYP1A2
SCHEMBL30743937 0.70 NTRK1 (0.91) NTRK1NTRK2IGF1RFGFR1CYP1A2
SCHEMBL21295396 0.69 NTRK1 (0.86) NTRK1NTRK2IGF1RFGFR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412338-B1 1,3,5-TRIAZINE-2,4,6-TRIONES, PREPARATION AND USE AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2006-01-18 EP disclosed
US-20040162290-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-08-19 US disclosed
EP-1412338-A1 1,3,5-TRIAZINE-2,4,6-TRIONES, PREPARATION AND USE AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-04-28 EP disclosed
US-6677340-B2 ADMINISTERING HEXAHYDRO-1,3-5-TRIAZINE-2,4,6-TRIONE DERIVATIVE AS ANTICARCINOGENIC AGENT; BENIGN PROSTATIC HYPERPLASIA, SLEEP DISORDER TREATMENT NEUROCRINE BIOSCIENCES, INC. 2004-01-13 US disclosed
US-20030130282-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2003-07-10 US disclosed
WO-2003011839-A1 1,3,5-TRIAZINE-2,4,6-TRIONES, PREPARATION AND USE AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2003-02-13 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-20030130282-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR NTRK1 760/4885NTRK2 451/4885IGF1R 408/4885
US-20040162290-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR NTRK1 760/4885NTRK2 451/4885IGF1R 408/4885

“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.