SCHEMBL4369342

SCHEMBL4369342

NC(=O)c1cc(Oc2ccc(O)cc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.54
RAF1 P04049 5/20 0.51
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
KDR P35968 3/20 0.45
P2RX3 P56373 5/20 0.44
BRAF P15056 3/20 0.43
PARP15 Q460N3 2/20 0.43
PARP14 Q460N5 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP4F2 P78329 1/20 0.41

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
SCHEMBL177841 0.87 PARP10 (0.54) PARP10RAF1KMT2AMEN1KDR
SCHEMBL29757282 0.86 P2RX3 (0.53) RAF1P2RX3
SCHEMBL257959 0.86 RAF1 (0.50) RAF1KDRP2RX3BRAF
SCHEMBL23913769 0.86 P2RX3 (0.53) RAF1P2RX3
SCHEMBL6273015 0.86 RAF1 (0.50) PARP10RAF1KMT2AKDRP2RX3
SCHEMBL4365227 0.85 KDM4E (0.49) PARP10RAF1KMT2AMEN1ESR1
SCHEMBL4155509 0.85 PARP10 (0.51) PARP10RAF1KDRBRAFPARP15
SCHEMBL4359684 0.83 RAF1 (0.46) RAF1KMT2AMEN1KDRP2RX3
SCHEMBL4359501 0.82 PARP10 (0.57) PARP10
SCHEMBL14319831 0.81 RAF1 (0.48) RAF1KMT2AMEN1KDRP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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 (1 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS PARP10 2596/4885RAF1 1846/4885KMT2A 3750/4885

“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.