SCHEMBL14973117

SCHEMBL14973117

Cn1ncc(-c2nc(-c3ccc(N)nc3)no2)c1-c1cnn(-c2ccc(Cl)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.40
GRM7 Q14831 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AOC3 Q16853 1/20 0.34
CYP1A2 P05177 2/20 0.34
KCNH2 Q12809 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34
BRD4 O60885 2/20 0.34
S1PR1 P21453 2/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL14972981 0.85 S1PR1 (0.45) MAP4K4S1PR1
SCHEMBL14973294 0.81 CA9 (0.48) MAP4K4KMT2AS1PR1RAB9A
SCHEMBL14973242 0.76 CA2 (0.43) S1PR1
SCHEMBL14973154 0.75 MAPKAPK2 (0.47) S1PR1
SCHEMBL14973291 0.74 PTGS2 (0.45) NPC1S1PR1RAB9A
SCHEMBL14973087 0.71 CA9 (0.48) NPC1S1PR1RAB9ASMN1; SMN2
SCHEMBL14973244 0.70 CA9 (0.48) NR1H4MAPTNPC1S1PR1RAB9A
SCHEMBL14972984 0.70 CA9 (0.46) MAPTNPC1MEN1KMT2AS1PR1
SCHEMBL14938007 0.67 MAP4K4 (0.46) MAP4K4MAPTNPC1MEN1KMT2A
SCHEMBL313583 0.67 MAPT (0.46) MAPTNPC1MEN1KMT2ACYP1A2

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
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A MAP4K4 2276/4885GRM7 37/4885NR1H4 249/4885

“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.