SCHEMBL3578005

SCHEMBL3578005

O=C(Nc1c[nH]nc1-c1csc(-c2ccccc2)n1)c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CDC25A P30304 2/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ABL1 P00519 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
STAT1 P42224 1/20 0.42
GFER P55789 1/20 0.42
ECE1 P42892 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL5315392 0.89 MEN1 (0.47) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL3584925 0.84 NPC1 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL5578150 0.79 CDK1 (0.45) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL13314755 0.77 JAK2 (0.44) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL5578169 0.76 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5578476 0.74 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL3586281 0.73 LMNA (0.55) LMNAMEN1KMT2AABL1HTT
SCHEMBL3591831 0.73 MEN1 (0.42) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL3580182 0.73 MEN1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL3580999 0.73 CDK2 (0.46) LMNAMEN1KMT2ANPC1RAB9A

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 SMN1; SMN2 3277/4885LMNA 1071/4885MEN1 1244/4885

“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.