SCHEMBL1344801

SCHEMBL1344801

[CH2]c1n[nH]c2cnccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 5/20 0.42
PIM1 P11309 4/20 0.42
IDO1 P14902 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
IKBKB O14920 1/20 0.42
AURKA O14965 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TOP1 P11387 1/20 0.42
GABRA1 P14867 1/20 0.42
HPGD P15428 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL30270020 0.77 PDPK1 (0.55) CHUKPIM1IDO1KDM4EGABRP
SCHEMBL868303 0.77 PDPK1 (0.55) CHUKPIM1IDO1KDM4EGABRP
SCHEMBL31346280 0.75 CHUK (0.44) CHUKPIM1IDO1KDM4EGABRP
SCHEMBL658647 0.75 CHUK (0.44) CHUKPIM1IDO1KDM4EGABRP
SCHEMBL1344802 0.75 DYRK1A (0.43) CHUKPIM1IDO1KDM4EGABRP
SCHEMBL31097608 0.75 DYRK1A (0.43) CHUKPIM1IDO1KDM4EGABRP
SCHEMBL12311284 0.75 DYRK1A (0.43) CHUKPIM1IDO1KDM4EGABRP
SCHEMBL31097647 0.75 DYRK1A (0.43) CHUKPIM1IDO1KDM4EGABRP
SCHEMBL25945842 0.72 LATS1 (0.42) CHUKPIM1IDO1KDM4EGABRP
SCHEMBL22121512 0.72 CHUK (0.37) CHUKPIM1IDO1KDM4EGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063064-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
EP-2057125-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-20110059975-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KENNEDY-SMITH JOSHUA 2011-03-10 US disclosed
US-7713974-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
US-20080045511-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-02-21 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 (2 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-20080045511-A1 Non-nucleoside reverse transcriptase inhibitors ADORA2B, ADORA1, ADORA3 CHUK 2452/4885PIM1 3179/4885IDO1 680/4885
US-20110059975-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RPIA, ADORA2B, NQO2 CHUK 2278/4885PIM1 3169/4885IDO1 722/4885

“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.