SCHEMBL1344199

SCHEMBL1344199

Clc1n[c]c2cn[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.33
DYRK1A Q13627 1/20 0.33
PLK4 O00444 1/20 0.33
PAK4 O96013 1/20 0.33
PDE2A O00408 1/20 0.31

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
SCHEMBL7486559 0.76 MAPK1 (0.32)
SCHEMBL53863 0.63 PLK4 (0.47) NOS1DYRK1APLK4PAK4PDE2A
SCHEMBL838113 0.63
SCHEMBL2266999 0.60 PLK4 (0.45) NOS1DYRK1APLK4PAK4PDE2A
SCHEMBL560806 0.60 RET (0.52) NOS1PLK4PAK4PDE2A
SCHEMBL61883 0.60 PLK4 (0.53) PLK4PAK4PDE2A
SCHEMBL291015 0.60
SCHEMBL4741666 0.60 MAOA (0.43) NOS1
SCHEMBL130504 0.58 PLK4 (0.57) PLK4PAK4PDE2A
SCHEMBL29480802 0.57 NOS1 (0.47) NOS1DYRK1A

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 NOS1 349/4885DYRK1A 3850/4885PLK4 3006/4885
US-20110059975-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RPIA, ADORA2B, NQO2 NOS1 452/4885DYRK1A 3718/4885PLK4 3083/4885

“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.