Sugi Predict

Sugi Predict / Compounds / SCHEMBL7990888

SCHEMBL7990888

SCHEMBL7990888

Nc1nc2ccccc2nc1C(=O)NC1CCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.60
▸ CNR2 P34972 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.55
▸ TAS1R3 Q7RTX0 4/20 0.55
▸ TAS1R1 Q7RTX1 4/20 0.55
▸ TAS1R2 Q8TE23 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TSHR P16473 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ USP2 O75604 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL12629854 0.93 ADORA2A (0.54) CNR1CNR2HTTNPC1RAB9A
SCHEMBL12629797 0.93 ADORA2A (0.54) CNR1CNR2HTTNPC1RAB9A
SCHEMBL12629785 0.93 ADORA2A (0.54) CNR1CNR2HTTNPC1RAB9A
SCHEMBL18580250 0.83 LMNA (0.58) CNR1CNR2HTTNPC1RAB9A
SCHEMBL18580248 0.83 LMNA (0.58) CNR1CNR2HTTNPC1RAB9A
SCHEMBL3391272 0.82 HTT (0.61) HTTNPC1RAB9AALDH1A1TAS1R3
SCHEMBL3392204 0.82 HTT (0.61) HTTNPC1RAB9AALDH1A1TAS1R3
SCHEMBL6085186 0.79 CNR1 (0.60) CNR1CNR2HTTALDH1A1TAS1R3
SCHEMBL10527008 0.76 HTT (0.80) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL8516550 0.76 ALDH1A1 (0.72) HTTALDH1A1TAS1R3TAS1R1TAS1R2

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
EP-2282999-B1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-05-21 — — EP disclosed
US-8415353-B2 Amino-quinoxaline and amino-quinoline compounds for use as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-09 — — US disclosed
US-8415353-B2 Amino-quinoxaline and amino-quinoline compounds for use as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-09 — — US disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 — — US disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 — — US disclosed
WO-2009111442-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2009-09-11 — — WO 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-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 CNR1 5/4885CNR2 14/4885HTT 597/4885

“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.