SCHEMBL981328

SCHEMBL981328

O=C(Cc1ccc2[nH]c3ccccc3c2c1)N1CCC(c2cc(Cl)ccc2O)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.42
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP14 Q460N5 2/20 0.36
MGLL Q99685 1/20 0.36
AKR1B1 P15121 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL979359 0.82 MET (0.49) METKMT2AHSD17B10
SCHEMBL980992 0.82 MET (0.51) METNPSR1MEN1KMT2AALDH1A1
SCHEMBL982454 0.81 ME2 (0.44) METMAPTCYP3A4MEN1KMT2A
SCHEMBL979465 0.80 MET (0.41) METMEN1KMT2AALDH1A1HPGD
SCHEMBL980755 0.80 MET (0.41) METMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL979197 0.78 ECE2 (0.49) METKDM4EMEN1KMT2AALDH1A1
SCHEMBL980062 0.77 MAPT (0.48) METMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL981003 0.77 MET (0.42) METMAPTNPSR1KDM4EMEN1
SCHEMBL979473 0.77 FNTA (0.49) MET
SCHEMBL983020 0.75 FNTA (0.47) METKDM4EKMT2AALDH1A1HPGD

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 MET 1/4885MAPT 4012/4885CYP1A2 437/4885

“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.