SCHEMBL20278384

SCHEMBL20278384

Cc1ccnn1-c1ccc(N)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 4/20 0.45
RAD52 P43351 1/20 0.45
ALDH1A1 P00352 7/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 3/20 0.44
HTT P42858 1/20 0.44
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
THRB P10828 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL29452573 0.83 LMNA (0.47) LMNAKMT2APKM
SCHEMBL19814656 0.75 MAPT (0.44) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL5537237 0.75 PKM (0.43) MAPTSMN1; SMN2KDM4EALDH1A1NR3C2
SCHEMBL17292935 0.74 MAPT (0.44) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL20278368 0.74 HSD17B10 (0.47) MAPTSMN1; SMN2GAAALDH1A1HTT
SCHEMBL10698769 0.74 ALDH1A1 (0.42) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL17293131 0.73 MAPT (0.53) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL30884183 0.73 MAPT (0.53) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL11728537 0.72 MAPT (0.44) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL19814419 0.72 MAPT (0.39) MAPTSMN1; SMN2GAAKDM4ERAD52

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-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 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-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 MAPT 2314/4885SMN1; SMN2 2224/4885GAA 254/4885

“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.