SCHEMBL4666100

SCHEMBL4666100

CCc1cc(N)n(-c2ccccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
RAB9A P51151 4/20 0.41
HPGD P15428 4/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 2/20 0.41
FLT3 P36888 7/20 0.41
AURKA O14965 3/20 0.41
MAP4K4 O95819 2/20 0.41
PIM1 P11309 2/20 0.41
PRKACA P17612 2/20 0.41
CLK2 P49760 2/20 0.41
CDK5 Q00535 2/20 0.41
MAP4K2 Q12851 2/20 0.41
ROCK1 Q13464 2/20 0.41
DYRK1A Q13627 2/20 0.41
AURKB Q96GD4 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
JAK2 O60674 2/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41

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
SCHEMBL27702103 0.85 TLR7 (0.43) MAPTRAB9AHPGDNPC1TP53
SCHEMBL9880023 0.83 ALDH1A1 (0.43) MAPTRAB9AHPGDNPC1TP53
SCHEMBL12713203 0.83 CA12 (0.43) MAPTRAB9AHPGDNPC1TP53
SCHEMBL9293879 0.81 ALDH1A1 (0.42) MAPTRAB9AHPGDNPC1TP53
SCHEMBL6343068 0.79 CYP1A2 (0.59) MAPTRAB9AHPGDNPC1TP53
SCHEMBL6345284 0.78 NPY5R (0.44) MAPTRAB9AHPGDNPC1TP53
SCHEMBL1013253 0.77 CYP1A2 (0.61) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL9880025 0.77 ALDH1A1 (0.53) MAPTRAB9AHPGDNPC1TP53
SCHEMBL4665662 0.76 NOS3 (0.40) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL27084518 0.76 MAPT (0.47) MAPTRAB9AHPGDNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 MAPT 3408/4885RAB9A 3432/4885HPGD 19/4885

“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.