SCHEMBL982014

SCHEMBL982014

CC(C(=O)N1CCC(c2ccc(F)cc2)=N1)c1ccc2nc(N)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
SCN4A P35499 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GFER P55789 3/20 0.42
AXL P30530 1/20 0.42
GPR183 P32249 2/20 0.41
MAOB P27338 1/20 0.40
PIK3CA P42336 9/20 0.40
PI4KA P42356 5/20 0.40
PI4KB Q9UBF8 5/20 0.40
PIK3CD O00329 4/20 0.40
PIK3CG P48736 3/20 0.40
PIP5K1C O60331 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
DRD2 P14416 1/20 0.38
KCNH2 Q12809 1/20 0.38
APP P05067 1/20 0.38
PIK3CB P42338 3/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL984592 0.81 MAOB (0.44) NPC1RAB9ASMN1; SMN2MAOBKCNH2
SCHEMBL981020 0.81 NPC1 (0.42) NPC1SCN4ARAB9ASMN1; SMN2GFER
SCHEMBL981515 0.80 NPC1 (0.42) NPC1SCN4ARAB9ASMN1; SMN2GFER
SCHEMBL27527540 0.72 RAB9A (0.69) NPC1SCN4ARAB9ASMN1; SMN2GFER
SCHEMBL74053 0.71 RAB9A (0.68) NPC1SCN4ARAB9ASMN1; SMN2GFER
SCHEMBL15887354 0.71 RAB9A (0.68) NPC1SCN4ARAB9ASMN1; SMN2GFER
SCHEMBL979174 0.70 MEN1 (0.43) SMN1; SMN2MAOBALDH1A1MAPT
SCHEMBL21177812 0.66 AXL (0.60) NPC1SCN4ARAB9ASMN1; SMN2GFER
SCHEMBL4132096 0.66 RAB9A (0.59) NPC1SCN4ARAB9ASMN1; SMN2PIK3CA
SCHEMBL8122351 0.65 RAB9A (0.76) NPC1SCN4ARAB9ASMN1; SMN2GFER

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-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 NPC1 3632/4885SCN4A 3898/4885RAB9A 2347/4885

“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.