SCHEMBL15918595

SCHEMBL15918595

CNc1ncnc2nc(C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
EGFR P00533 5/20 0.43
ADORA2A P29274 2/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
YTHDF2 Q9Y5A9 1/20 0.36
PIM1 P11309 1/20 0.35
AKT2 P31751 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
SCHEMBL13330047 0.81 KDM4E (0.43) EGFRADORA2AKMT2AGAAKDM4E
SCHEMBL13230436 0.81 JAK2 (0.43) EGFRADORA2ACYP1A2CLK4KMT2A
SCHEMBL15268026 0.79 PDPK1 (0.42) PDPK1EGFRCYP1A2CYP3A4CYP2D6
SCHEMBL15268025 0.77 PDPK1 (0.41) PDPK1EGFRCYP1A2CYP3A4CYP2D6
SCHEMBL31663137 0.76 KMT2A (0.41) ADORA2ACYP1A2TSHRKMT2AGAA
SCHEMBL10078334 0.76 KMT2A (0.41) ADORA2ACYP1A2TSHRKMT2AGAA
SCHEMBL15267989 0.76 MAT2A (0.42) PDPK1EGFRCYP1A2CYP3A4CYP2D6
SCHEMBL15267988 0.75 PDPK1 (0.39) PDPK1EGFRCYP1A2CYP3A4CYP2D6
SCHEMBL15268006 0.75 CSF1R (0.40) PDPK1EGFRCYP1A2CYP3A4CYP2D6
SCHEMBL13262166 0.74 PDPK1 (0.49) PDPK1EGFRCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140213595-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-20140213601-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 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-20140213595-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PDPK1 1990/4885EGFR 3726/4885ADORA2A 4182/4885
US-20140213601-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PDPK1 1990/4885EGFR 3726/4885ADORA2A 4182/4885

“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.