SCHEMBL5437233

SCHEMBL5437233

Cn1ccc2cccnc21.c1cnc2[nH]ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.64
NUDT1 P36639 1/20 0.64
MTNR1A P48039 1/20 0.41
PARP1 P09874 1/20 0.39
BRD4 O60885 1/20 0.38
TAF1 P21675 1/20 0.38
BRPF1 P55201 1/20 0.38
CREBBP Q92793 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2C19 P33261 1/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
DAO P14920 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
SLC22A12 Q96S37 3/20 0.35
ENPP3 O14638 1/20 0.34
PKM P14618 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL29845529 0.83 PARP1 (0.50) MTNR1APARP1L3MBTL1CYP2C19CDC7
SCHEMBL256379 0.83 PARP1 (0.50) MTNR1APARP1L3MBTL1CYP2C19CDC7
Bromide SCHEMBL28427695 0.82 PARP1 (0.49) MTNR1APARP1L3MBTL1CYP2C19CDC7
SCHEMBL29523425 0.80
SCHEMBL709685 0.80 AXL (1.00) AXLNUDT1DAODYRK1ACDK8
SCHEMBL17837 0.80
Methane SCHEMBL14738986 0.78 AXL (0.95) AXLNUDT1DAODYRK1ACDK8
Potassium SCHEMBL30760557 0.78 AXL (0.95) AXLNUDT1DAODYRK1ACDK8
Ammonia Solution, Strong SCHEMBL27486357 0.78 AXL (0.95) AXLNUDT1DAODYRK1ACDK8
SCHEMBL27753650 0.78 AXL (0.95) AXLNUDT1DAODYRK1ACDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 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-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 AXL 4877/4885NUDT1 3053/4885MTNR1A 724/4885

“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.