SCHEMBL4010347

SCHEMBL4010347

COc1ncc(CCc2cc(N)n[nH]2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
DYRK1A Q13627 1/20 0.35
PDPK1 O15530 1/20 0.33
CYP1A2 P05177 1/20 0.33
METAP2 P50579 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
HSD17B10 Q99714 4/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHFR P00374 1/20 0.32
PIK3CA P42336 2/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4302457 0.84 QPCT (0.36) QPCTQPCTLCYP1A2METAP2
SCHEMBL27773542 0.75 HSD17B10 (0.37) DYRK1AHSD17B10GAASMN1; SMN2KDM4E
SCHEMBL4011684 0.72 CYP3A4 (0.36) DYRK1AHSD17B10GAAALDH1A1SMN1; SMN2
SCHEMBL10568312 0.72 QPCT (0.38) QPCTQPCTLCYP1A2METAP2DHFR
SCHEMBL13920402 0.70 CD274 (0.40) QPCTQPCTLCYP1A2METAP2PIK3CA
SCHEMBL4011604 0.70 HSD17B10 (0.52) DYRK1AHSD17B10GAAALDH1A1DHFR
SCHEMBL4016522 0.69 DYRK1A (0.40) DYRK1APDPK1HSD17B10GAAALDH1A1
SCHEMBL12044436 0.68 CRHR1 (0.43) QPCTQPCTLCYP1A2METAP2HSD17B10
SCHEMBL13920403 0.68 PDE4A (0.39) QPCTQPCTLCYP1A2METAP2HSD17B10
SCHEMBL23519011 0.68 QPCT (0.36) QPCTQPCTLCYP1A2METAP2ALDH1A1

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
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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 (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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 QPCT 836/4885QPCTL 2600/4885DYRK1A 4821/4885

“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.