SCHEMBL7095200

SCHEMBL7095200

CCCc1cccc(C=O)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
F2R P25116 3/20 0.40
CCR1 P32246 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TERT O14746 8/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7092724 0.89 KCNH2 (0.56) KCNH2F2RCCR1NPSR1KDM4E
SCHEMBL12664449 0.88 KCNH2 (0.45) KCNH2CCR1NPSR1TERTALDH1A1
SCHEMBL249047 0.84 CCR1 (0.40) KCNH2F2RCCR1TERTALDH1A1
SCHEMBL25607561 0.81 KCNH2 (0.46) KCNH2F2RNPSR1KDM4ECTSS
SCHEMBL2522650 0.79 KCNH2 (0.67) KCNH2NPSR1KDM4ECTSSCTSK
SCHEMBL11818083 0.78 KCNH2 (0.66) KCNH2CCR1ALDH1A1
SCHEMBL28065632 0.77 CCR1 (0.34) KCNH2CCR1TERTALDH1A1
SCHEMBL6605431 0.77 CCR4 (0.36) CCR1KDM4ETERTALDH1A1
SCHEMBL22335908 0.76 KCNH2 (0.42) KCNH2F2RCCR1NPSR1TERT
SCHEMBL6984612 0.76 CCR1 (0.40) KCNH2CCR1TERTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
WO-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 KCNH2 2426/4885F2R 113/4885CCR1 1929/4885

“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.