SCHEMBL839159

SCHEMBL839159

O=c1[nH]cnc2c1cnn2-c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
PARP1 P09874 3/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
POLB P06746 2/20 0.40
PDE9A O76083 2/20 0.40
PDE1C Q14123 1/20 0.40
HCAR1 Q9BXC0 2/20 0.40
GCK P35557 2/20 0.40
KCNH2 Q12809 1/20 0.40
CYP17A1 P05093 2/20 0.39
PDPK1 O15530 1/20 0.38
CA12 O43570 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL30948485 0.80 HTT (0.72) HTTPARP1MAPTALDH1A1MEN1
SCHEMBL5471194 0.80 MEN1 (0.60) HTTPARP1MAPTALDH1A1MEN1
SCHEMBL2077064 0.76 MAPT (0.59) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL32668634 0.76 XDH (0.60) HTTPARP1MAPTALDH1A1MEN1
SCHEMBL839179 0.76 HTT (0.56) HTTPARP1MAPTALDH1A1MEN1
SCHEMBL849813 0.74 HTT (0.46) HTTPARP1MAPTALDH1A1MEN1
SCHEMBL369066 0.74 CYP17A1 (0.45) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL838726 0.74 GCK (0.44) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL838396 0.74 GCK (0.42) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL30496001 0.73 HTT (0.53) HTTPARP1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 HTT 2010/4885PARP1 3399/4885MAPT 3944/4885

“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.