SCHEMBL1960625

SCHEMBL1960625

CC(C)N(CCN1C=Cc2[nH]c(-c3ccccc3)nc2C1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PDE10A Q9Y233 2/20 0.32
KDM4E B2RXH2 4/20 0.32
ADORA2A P29274 6/20 0.31
ADORA2B P29275 6/20 0.31
GRIN2B Q13224 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31
PIN1 Q13526 1/20 0.31
CYP1A2 P05177 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL1961158 0.85 ADORA2A (0.42) KDM4EADORA2AADORA2BGRIN2BPIN1
SCHEMBL1960977 0.80 ADORA2B (0.39) ACHEKDM4EADORA2AADORA2BNOX1
SCHEMBL6432296 0.80 PRCP (0.36) KDM4EADORA2AADORA2BPIN1HSD17B10
SCHEMBL1958386 0.78 KDM4E (0.34) KDM4EADORA2AADORA2BGRIN2BNOX1
SCHEMBL1958694 0.78 SIGMAR1 (0.37) PIN1
SCHEMBL1411950 0.77 CXCR2 (0.40) KDM4EGRIN2BCYP1A2ALDH1A1ADORA3
SCHEMBL1962569 0.77 PIN1 (0.35) KDM4EADORA2BGRIN2BPIN1CYP1A2
SCHEMBL1959740 0.77 ACHE (0.41) ACHEALDH1A1
SCHEMBL1959385 0.77 SIGMAR1 (0.36) ACHEPIN1
SCHEMBL1959645 0.74 NPC1 (0.40) KDM4EPIN1CYP1A2ALDH1A1MEN1

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-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 ACHE 3665/4885CRHBP 3049/4885CRHR2 4749/4885

“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.