SCHEMBL5253471

SCHEMBL5253471

CCCC1(CCC)CCCc2c1nc(C)[nH]c2=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.30
HAVCR2 Q8TDQ0 1/20 0.30

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
SCHEMBL8619802 0.69 SIRT2 (0.34)
SCHEMBL10150407 0.64 PARP1 (0.59) PARP1CYP1A2HIF1APARP15PARP3
SCHEMBL3122203 0.64 PARP1 (0.59) PARP1CYP1A2HIF1APARP15PARP3
SCHEMBL5257298 0.63 GRIN1 (0.37)
SCHEMBL10581919 0.63 SIRT2 (0.37)
SCHEMBL25687536 0.63 SIRT2 (0.31)
SCHEMBL7782060 0.63 CYP1A2 (0.42) PARP1CYP1A2HIF1APARP15PARP3
SCHEMBL4433128 0.61 GRIN2D (0.38)
SCHEMBL30850338 0.61 PARP1 (0.36) PARP1CYP1A2HIF1APARP15PARP3
SCHEMBL8852255 0.60 ESR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656354-B1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
EP-1656354-B1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 US disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 US disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 US disclosed
EP-1656354-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050038052-A1 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC 2005-02-17 US disclosed
WO-2005014557-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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-20050038052-A1 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists CRHR1, AVPR2, CRHR2 PARP1 3416/4885CYP1A2 497/4885HIF1A 988/4885

“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.