SCHEMBL5519307

SCHEMBL5519307

COc1nc(OC)c(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
F10 P00742 2/20 0.37
F2 P00734 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL31254099 0.87 TDP1 (0.58) TDP1MEN1KMT2ANPC1ALDH1A1
SCHEMBL11749341 0.87 TDP1 (0.58) TDP1MEN1KMT2ANPC1ALDH1A1
SCHEMBL31214365 0.84 MEN1 (0.34) TDP1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19814342 0.84 GAA (0.47) TDP1MEN1KMT2ANPC1ALDH1A1
SCHEMBL21031063 0.80 LMNA (0.37) TDP1MEN1KMT2AHRH4LMNA
SCHEMBL23961392 0.79 ERN1 (0.40) TDP1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL1300470 0.77 KMO (0.42) TDP1MEN1KMT2AALDH1A1CYP2C19
SCHEMBL26287574 0.77 ALDH1A1 (0.41) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL19814151 0.76 MERTK (0.44) TDP1ALDH1A1TSHRCYP3A4MAPT
SCHEMBL31167680 0.74 GSK3A (0.42) TDP1MEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US 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-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 TDP1 2331/4885MEN1 3793/4885KMT2A 919/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 TDP1 2276/4885MEN1 3347/4885KMT2A 898/4885

“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.