SCHEMBL13314751

SCHEMBL13314751

O=C(Nc1c[nH]nc1-c1cnccn1)c1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
HTT P42858 1/20 0.45
NOD2 Q9HC29 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK2 P24941 8/20 0.41
CDK1 P06493 7/20 0.41
CCNA2 P20248 6/20 0.41
CCNB1 P14635 5/20 0.41
CCNA1 P78396 2/20 0.41
AURKB Q96GD4 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
STK17A Q9UEE5 3/20 0.40
ROCK1 Q13464 2/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
CSF1R P07333 2/20 0.40

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
SCHEMBL13314755 0.86 JAK2 (0.44) LMNAJAK2JAK1TYK2HTT
SCHEMBL3586281 0.82 LMNA (0.55) LMNAJAK2JAK1TYK2HTT
SCHEMBL13314752 0.77 KMT2A (0.41) KMT2ACDK2CLK4CLK2MAPK9
SCHEMBL3580999 0.77 CDK2 (0.46) LMNAJAK2JAK1TYK2HTT
SCHEMBL14511661 0.76 JAK2 (0.45) LMNAJAK2JAK1TYK2HTT
SCHEMBL1646344 0.76 MAPT (0.46) LMNAJAK2JAK1TYK2HTT
SCHEMBL13314759 0.75 MCL1 (0.54) HTTMEN1KMT2AHDAC3HDAC1
SCHEMBL13314754 0.75 L3MBTL1 (0.51) HTTMEN1KMT2APOLB
SCHEMBL3591831 0.75 MEN1 (0.42) LMNAJAK2JAK1TYK2HTT
SCHEMBL3584925 0.75 NPC1 (0.51) JAK2JAK1TYK2HTTNOD2

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 LMNA 1071/4885JAK2 734/4885JAK1 219/4885

“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.