SCHEMBL1464337

SCHEMBL1464337

O=C(Cc1cccc(-c2ncc(O)cn2)c1)N1CCC(c2cc(Cl)ccc2Cl)=N1.Oc1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.49
▸ ORAI1 Q96D31 2/20 0.40
▸ HCRTR1 O43613 4/20 0.36
▸ HCRTR2 O43614 4/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ PTGER1 P34995 2/20 0.35
▸ FNTA P49354 7/20 0.34
▸ FNTB P49356 7/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ SLC6A15 Q9H2J7 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1427063 0.96 MET (0.53) METORAI1HCRTR1HCRTR2CYP3A4
SCHEMBL1427084 0.88 MET (0.52) METORAI1HCRTR1HCRTR2FNTA
SCHEMBL12747571 0.83 MET (0.48) METORAI1HCRTR1HCRTR2CYP3A4
SCHEMBL1427146 0.82 MET (0.49) METORAI1ALDH1A1SMN1; SMN2
SCHEMBL1427192 0.80 MET (0.65) METALDH1A1TSHR
SCHEMBL12827536 0.79 MET (0.45) METORAI1HCRTR1HCRTR2CYP3A4
SCHEMBL1427643 0.79 MET (0.51) METORAI1HCRTR1HCRTR2CYP3A4
SCHEMBL1427614 0.79 MET (0.54) METORAI1HCRTR1HCRTR2LMNA
SCHEMBL983930 0.78 MET (0.58) METORAI1ALDH1A1LMNAPKM
SCHEMBL13580043 0.78 MET (0.58) METORAI1ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071153-A1 DIHYDROPYRAZOLE DERIVATIVES AS TYROSINE KINASE MODULATORS FOR THE TREATMENT OF TUMORS MERCK PATENT GESELLSCHAFT (DE) 2011-03-24 — — 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-20110071153-A1 DIHYDROPYRAZOLE DERIVATIVES AS TYROSINE KINASE MODULATORS FOR THE TREATMENT OF TUMORS RET, FLT3, TYRO3 MET 4/4885ORAI1 4554/4885HCRTR1 2682/4885

“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.

Send feedback