SCHEMBL2459779

SCHEMBL2459779

CC(C)NC(=O)CNC(=O)c1cc(N2CCNC(C)CC2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.40
CCR2 P41597 13/20 0.38
P2RX7 Q99572 1/20 0.38
AVPR2 P30518 2/20 0.36
AVPR1A P37288 1/20 0.36
FAP Q12884 1/20 0.35
LGMN Q99538 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 0.91 MAPT (0.41) IP6K1CCR2P2RX7
SCHEMBL2463515 0.91 MAPT (0.41) IP6K1CCR2P2RX7
SCHEMBL2459776 0.91 MAPT (0.41) IP6K1CCR2P2RX7
SCHEMBL2458801 0.86 USP25 (0.43) IP6K1CCR2P2RX7
SCHEMBL2458809 0.86 USP25 (0.43) IP6K1CCR2P2RX7
SCHEMBL3451783 0.86 USP25 (0.43) IP6K1CCR2P2RX7
SCHEMBL2461135 0.84 AVPR1B (0.42) IP6K1CCR2CCR3
SCHEMBL2461995 0.84 ADRB1 (0.38) IP6K1CCR2P2RX7CCR3
SCHEMBL2461916 0.84 CCR2 (0.38) IP6K1CCR2CCR3
SCHEMBL2462397 0.83 IP6K1 (0.43) IP6K1CCR2AVPR2AVPR1A

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 IP6K1 2048/4885CCR2 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.