SCHEMBL6768809

SCHEMBL6768809

NNC(=O)c1ccc2cncnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.51
IMPDH2 P12268 1/20 0.45
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MPO P05164 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOTUM Q6P988 1/20 0.43
P2RX7 Q99572 1/20 0.42
BAZ1A Q9NRL2 1/20 0.42
PRMT3 O60678 1/20 0.42
KDM5A P29375 1/20 0.41
BLM P54132 1/20 0.41
GFER P55789 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 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
SCHEMBL14157159 0.88 NAMPT (0.55) EGFRNAMPTKDM4EMPOCYP3A4
SCHEMBL2051696 0.82 EGFR (0.56) EGFRIMPDH2NOTUMBAZ1AAR
SCHEMBL17941925 0.80 KMT2A (0.52) EGFRIMPDH2NAMPTKDM4ENOTUM
SCHEMBL30533141 0.80 EGFR (0.53) EGFRIMPDH2KDM4EALDH1A1NPC1
SCHEMBL12466410 0.80 EGFR (0.53) EGFRIMPDH2KDM4EALDH1A1NPC1
SCHEMBL1105475 0.79 EGFR (0.51) EGFRIMPDH2CYP2A6NOTUMBAZ1A
SCHEMBL28850937 0.79 EGFR (0.51) EGFRIMPDH2NAMPTNOTUMBAZ1A
SCHEMBL30507829 0.78 CSNK2A1 (0.59) EGFRIMPDH2KDM4ENOTUM
SCHEMBL18614408 0.78 CSNK2A1 (0.59) EGFRIMPDH2KDM4ENOTUM
SCHEMBL29648005 0.77 EGFR (0.50) EGFRIMPDH2NOTUMBAZ1APRMT3

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
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK EGFR 354/4885IMPDH2 2778/4885NAMPT 641/4885

“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.