SCHEMBL2461992

SCHEMBL2461992

CC(C)C(NC(=O)c1cc(N2CCNC(CF)C2)ccc1N)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.37
IP6K1 Q92551 1/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 3/20 0.34
USP25 Q9UHP3 4/20 0.34
USP28 Q96RU2 2/20 0.34
PRKCA P17252 3/20 0.33
PRKCQ Q04759 3/20 0.33
PRKCD Q05655 3/20 0.33
PRKCB P05771 1/20 0.32
FLT3 P36888 1/20 0.32
PRKCE Q02156 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
SCHEMBL2458971 0.86 IP6K1 (0.38) ADRB1IP6K1CNR2CNR1
SCHEMBL2461995 0.83 ADRB1 (0.38) ADRB1IP6K1USP25USP28
SCHEMBL2461911 0.78 IP6K1 (0.36) IP6K1CNR2CNR1
SCHEMBL2463505 0.78 HDAC1 (0.39) IP6K1CNR2CNR1PRKCQFLT3
SCHEMBL2463468 0.75 CTSK (0.41) IP6K1CNR2CNR1
SCHEMBL2461130 0.75 IP6K1 (0.40) IP6K1CNR2CNR1
SCHEMBL2461894 0.73 HDAC1 (0.39) CNR2CNR1
SCHEMBL2458839 0.73 NR1H2 (0.41)
SCHEMBL3452434 0.72 IP6K1 (0.42) IP6K1CNR2CNR1
SCHEMBL2461843 0.71 NR1H2 (0.59)

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-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA ADRB1 584/4885IP6K1 2048/4885CNR2 705/4885

“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.