SCHEMBL10568312

SCHEMBL10568312

CCCc1cnc(OC)nc1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
CRHR1 P34998 1/20 0.38
DHFR P00374 2/20 0.37
HMGCR P04035 1/20 0.34
PDE10A Q9Y233 2/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA2 P47869 1/20 0.33
CYP1A2 P05177 3/20 0.33
METAP2 P50579 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 1/20 0.32
CES1 P23141 1/20 0.32
PLAU P00749 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL12044436 0.85 CRHR1 (0.43) QPCTQPCTLCRHR1DHFRGABRG2
SCHEMBL13920403 0.81 PDE4A (0.39) QPCTQPCTLCRHR1GABRG2GABRB3
SCHEMBL23499218 0.81 QPCT (0.36) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL23519011 0.81 QPCT (0.36) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL26977491 0.80 DHFR (0.51) DHFR
SCHEMBL30135505 0.80 CYP1A2 (0.38) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL13920402 0.79 CD274 (0.40) QPCTQPCTLCRHR1CYP1A2METAP2
SCHEMBL23518895 0.78 LMNA (0.39) QPCTQPCTLCRHR1GABRG2GABRB3
SCHEMBL24890516 0.77 MTNR1A (0.41) QPCTQPCTLGABRG2GABRB3GABRA2
SCHEMBL3933803 0.77 KDM4E (0.47) GABRG2GABRB3GABRA2FAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
US-4818277-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-04 US disclosed
EP-0035893-B1 HERBICIDAL BENZENE- AND PYRIDINE-SULFONAMIDE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-21 EP disclosed
EP-0035893-A2 Herbicidal benzene- and pyridine-sulfonamide derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-16 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 (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 2600/4885CRHR1 914/4885

“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.