SCHEMBL3820128

SCHEMBL3820128

Cc1ncc(C(N)=O)c(-c2cccc(F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
HPGDS O60760 1/20 0.49
JAK2 O60674 2/20 0.46
SYK P43405 2/20 0.46
CHEK2 O96017 2/20 0.44
CDC7 O00311 1/20 0.43
PARP1 P09874 4/20 0.43
CSNK1D P48730 2/20 0.43
JAK3 P52333 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NTRK1 P04629 2/20 0.41
LMNA P02545 1/20 0.40
CSF1R P07333 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
CDK1 P06493 1/20 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
SCHEMBL1971235 0.88 KMO (0.47) MAP4K4HPGDSCSNK1DNTRK1
SCHEMBL3823018 0.82 ALDH1A1 (0.57) JAK2CSNK1DJAK3LMNAMAPK1
SCHEMBL25551846 0.76 ROS1 (0.46) ADORA2AADORA1PIM1MAPK1
SCHEMBL3823464 0.75 PTGDR2 (0.46) ADORA2AADORA1NTRK1
SCHEMBL3820130 0.75 DPP4 (0.46) ADORA2AADORA1
SCHEMBL2991676 0.74 LMNA (0.57) MAP4K4HPGDSJAK2CHEK2CDC7
SCHEMBL13723345 0.74 ADORA1 (0.57) SYKCDC7PARP1CSNK1DADORA1
SCHEMBL1967935 0.73 MEN1 (0.50) CSNK1DADORA1NTRK1
SCHEMBL12904857 0.73 JAK3 (0.61) MAP4K4JAK2SYKCDC7JAK3
SCHEMBL3822606 0.72 PTGDR2 (0.44) ADORA2AADORA1NTRK1LMNAPIM1

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-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 MAP4K4 1099/4885HPGDS 2296/4885JAK2 1028/4885

“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.