SCHEMBL2461995

SCHEMBL2461995

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.38
CCR2 P41597 12/20 0.36
P2RX7 Q99572 1/20 0.36
IP6K1 Q92551 1/20 0.35
USP25 Q9UHP3 2/20 0.35
USP28 Q96RU2 1/20 0.35
CCR3 P51677 1/20 0.35

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
SCHEMBL2459768 0.89 MAPT (0.41) CCR2P2RX7IP6K1USP25USP28
SCHEMBL2459776 0.89 MAPT (0.41) CCR2P2RX7IP6K1USP25USP28
SCHEMBL2463515 0.89 MAPT (0.41) CCR2P2RX7IP6K1USP25USP28
SCHEMBL2458975 0.87 IP6K1 (0.38) ADRB1CCR2IP6K1
SCHEMBL2458809 0.87 USP25 (0.43) CCR2P2RX7IP6K1USP25USP28
SCHEMBL2458801 0.87 USP25 (0.43) CCR2P2RX7IP6K1USP25USP28
SCHEMBL3451783 0.87 USP25 (0.43) CCR2P2RX7IP6K1USP25USP28
SCHEMBL2463353 0.86 IP6K1 (0.36) ADRB1CCR2IP6K1
SCHEMBL2459779 0.84 IP6K1 (0.40) CCR2P2RX7IP6K1CCR3
SCHEMBL2462015 0.84 ADRB1 (0.35) ADRB1CCR2IP6K1

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 584/4885CCR2 3951/4885P2RX7 748/4885

“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.