SCHEMBL3584925

SCHEMBL3584925

Cc1nc(-c2n[nH]cc2NC(=O)c2c(F)cccc2F)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
ABL1 P00519 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
BLM P54132 1/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL3578005 0.84 SMN1; SMN2 (0.50) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL3580182 0.80 MEN1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13314754 0.78 L3MBTL1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL13314755 0.77 JAK2 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5316740 0.77 NPC1 (0.47) NPC1RAB9AKDM4EPKMSMN1; SMN2
SCHEMBL5578113 0.76 MEN1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL3591831 0.76 MEN1 (0.42) NPC1RAB9AMEN1KMT2AABL1
SCHEMBL13314751 0.75 LMNA (0.48) MEN1KMT2AABL1MAPK1POLB
SCHEMBL8299825 0.74 MAPT (0.48) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL8299814 0.73 MGAM (0.48) NPC1RAB9AKDM4ESMN1; SMN2MEN1

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 3 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
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 NPC1 3024/4885RAB9A 3141/4885KDM4E 990/4885

“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.