SCHEMBL4029987

SCHEMBL4029987

O=C(O)Nc1c(Cl)ccc2c1OCO2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 7/20 0.52
EPHB4 P54760 9/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAOB P27338 1/20 0.43
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
POLB P06746 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL5723655 0.81 RAB9A (0.43) ACVRL1NPC1RAB9AMEN1KMT2A
SCHEMBL5723676 0.81 AOC3 (0.49) ACVRL1NPC1RAB9AMEN1KMT2A
SCHEMBL3275997 0.79 ACVRL1 (0.48) ACVRL1EPHB4NPC1RAB9AMEN1
SCHEMBL3539889 0.77 NPC1 (0.43) ACVRL1NPC1RAB9AMEN1KMT2A
SCHEMBL3275768 0.75 DPP4 (0.46) ACVRL1NPC1RAB9AMEN1KMT2A
SCHEMBL13633954 0.74 ACVRL1 (0.42) ACVRL1EPHB4NPC1RAB9A
SCHEMBL11058830 0.72 EDNRA (0.43) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL3676870 0.72 ACVRL1 (0.54) ACVRL1NPC1RAB9AMEN1KMT2A
SCHEMBL4025660 0.70 POLB (0.57) ACVRL1NPC1RAB9APOLB
SCHEMBL27192092 0.69 ACVRL1 (0.36) ACVRL1EPHB4NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US disclosed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1450808-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-06-15 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 (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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 ACVRL1 2032/4885EPHB4 1046/4885NPC1 1623/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI ACVRL1 4181/4885EPHB4 4111/4885NPC1 1776/4885

“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.