SCHEMBL3544784

SCHEMBL3544784

CC(C)(C)NC(=O)Oc1ccncc1C=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
BRS3 P32247 4/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ERN1 O75460 2/20 0.33
SSTR4 P31391 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
LATS1 O95835 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
SCHEMBL3548048 0.90 RAB9A (0.36) RAB9ABRS3POLBHPGDSMN1; SMN2
SCHEMBL28456611 0.79 KDM4E (0.46) RAB9ABRS3POLBHPGDSMN1; SMN2
SCHEMBL9953769 0.79 RAB9A (0.37) RAB9ABRS3POLBHPGDSMN1; SMN2
SCHEMBL27773816 0.79 GAA (0.37) RAB9ABRS3POLBHPGDSMN1; SMN2
SCHEMBL27706541 0.77 SIRT3 (0.47) RAB9ABRS3POLBHPGDSMN1; SMN2
SCHEMBL27773717 0.77 ROCK2 (0.38) RAB9ABRS3POLBHPGDSMN1; SMN2
SCHEMBL27667487 0.77 RAB9A (0.37) RAB9ABRS3POLBHPGDSMN1; SMN2
SCHEMBL9952196 0.75 CYP1A2 (0.36) RAB9ABRS3POLBHPGDSMN1; SMN2
SCHEMBL28264077 0.75 RAB9A (0.37) RAB9ABRS3POLBHPGDSMN1; SMN2
SCHEMBL9939364 0.73 GAA (0.38) RAB9APOLBHPGDSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198282-B2 Substituted azaquinazolines having an antiviral action AICURIS GMBH & CO. KG (DE) 2012-06-12 US disclosed
US-20100179174-A1 SUBSTITUTED AZAQUINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 US disclosed
US-7662822-B2 Substituted azaquinazolines having an antiviral action BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-16 US disclosed
US-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride BAYER HEALTHCARE AG (DE) 2008-06-05 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-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride ZC3HAV1, EIF2AK2, IRF3 RAB9A 1869/4885BRS3 4684/4885POLB 201/4885
US-20100179174-A1 SUBSTITUTED AZAQUINAZOLINES HAVING AN ANTIVIRAL ACTION EIF2AK2, TPMT, IRF3 RAB9A 1434/4885BRS3 3729/4885POLB 214/4885

“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.