SCHEMBL7574609

SCHEMBL7574609

c1ccc2nc(C3CCCCC3)ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.48
OGG1 O15527 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
LCK P06239 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL31326059 1.00 PDE5A (0.48) PDE5AOGG1CNR1CNR2HCRTR1
SCHEMBL27580633 0.95 PDE5A (0.42) PDE5AOGG1CNR1CNR2HCRTR1
SCHEMBL30200310 0.91 HTR3A (0.41) PDE5AOGG1HCRTR1HCRTR2LCK
SCHEMBL15819435 0.91 HTR3A (0.41) PDE5AOGG1HCRTR1HCRTR2LCK
SCHEMBL22025139 0.83 PDE5A (0.35) PDE5AOGG1CNR1CNR2HCRTR1
SCHEMBL20993437 0.83 CDK7 (0.40) OGG1HCRTR1HCRTR2HTR3AHRH4
SCHEMBL20993222 0.83 CDK7 (0.40) OGG1HCRTR1HCRTR2HTR3AHRH4
SCHEMBL20993375 0.83 CDK7 (0.40) OGG1HCRTR1HCRTR2HTR3AHRH4
SCHEMBL3207882 0.83 CDK7 (0.40) PDE5AOGG1HCRTR1HCRTR2HTR3A
SCHEMBL4963862 0.83 MEN1 (0.46) TDP1HTR3AHRH4KDM4E

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
CN-119504611-A Method for synthesizing quinazoline derivative by manganese-based catalyst 西安近代化学研究所 2025-02-25 CN disclosed
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-04-21 US disclosed
CN-108264489-B Method for synthesizing quinazoline in water 南京理工大学 2021-06-08 CN disclosed
CN-108264489-A A kind of method for synthesizing quinazoline in water 南京理工大学 2018-07-10 CN disclosed
US-6380205-B1 QUINAZOLINE THROUGH A C1-C4ALKYL, C1- C4ALKENYL, C1-C4ALKYNYL, C1-C4ALKOXY, AMINO, AMINOC1-C4ALKYL, HYDROXYC1-C4ALKYL, CARBONYL, CYCLOC3-C6ALKYL OR AMINOCARBONYL CHAIN, USEFUL FOR TREATMENT OF THE PAIN MERCK & CO., INC. 2002-04-30 US disclosed
US-20020032207-A1 2-Cyclohexyl quinazoline NMDA/NR2B antagonists MERCK & CO., INC. 2002-03-14 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-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS CFB, TFPI, MAOB PDE5A 2351/4885OGG1 4383/4885CNR1 202/4885
US-20020032207-A1 2-Cyclohexyl quinazoline NMDA/NR2B antagonists GRIN2C, GRIN1, GRIN3A PDE5A 4188/4885OGG1 3851/4885CNR1 36/4885

“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.