SCHEMBL13314749

SCHEMBL13314749

O=C(Nc1c[nH]nc1-c1ccccn1)C1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.50
KDM4E B2RXH2 4/20 0.50
POLB P06746 4/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
RAB9A P51151 8/20 0.47
NPC1 O15118 8/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
MAPK10 P53779 1/20 0.45
ELOVL1 Q9BW60 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL3588865 0.78 KMT2A (0.45) SMN1; SMN2KDM4EHTTRAB9ANPC1
SCHEMBL13314757 0.78 KMT2A (0.54) SMN1; SMN2KDM4EHTTRAB9ANPC1
SCHEMBL22258960 0.77 CYP3A4 (0.41) KDM4ETP53ALDH1A1HPGDTSHR
SCHEMBL22258773 0.76 RAB9A (0.39) SMN1; SMN2KDM4EHSD17B10RAB9ANPC1
SCHEMBL3579872 0.75 ALDH1A1 (0.47) SMN1; SMN2KDM4EHTTHSD17B10RAB9A
SCHEMBL8272416 0.74 MAPK1 (0.53) SMN1; SMN2KDM4EPOLBHTTHSD17B10
SCHEMBL5105437 0.74 MAPK1 (0.53) SMN1; SMN2KDM4EPOLBHTTHSD17B10
SCHEMBL14289389 0.72 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EHTTHSD17B10RAB9A
SCHEMBL5111539 0.72 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EHTTHSD17B10RAB9A
SCHEMBL22258666 0.72 SCN9A (0.35) KDM4EHSD17B10RAB9AADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 SMN1; SMN2 3277/4885KDM4E 990/4885POLB 460/4885

“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.