SCHEMBL16320201

SCHEMBL16320201

Cc1nc(-c2cn(C)nc2C)cs1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
RECQL P46063 3/20 0.46
COMT P21964 1/20 0.40
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
ESR2 Q92731 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
NR4A1 P22736 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRIM24 O15164 1/20 0.35
HTT P42858 2/20 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
SCHEMBL12970276 0.84 ALDH1A1 (0.53) ALDH1A1RECQLGAAKDM4EMAPT
SCHEMBL15182828 0.83 ALDH1A1 (0.51) ALDH1A1RECQLGAAKDM4EMAPT
SCHEMBL13306678 0.80 ALDH1A1 (0.65) ALDH1A1RECQLCOMTKDM4EMAPT
SCHEMBL16561250 0.73 ALDH1A1 (0.56) ALDH1A1RECQLCOMTKDM4EHPGD
SCHEMBL24359598 0.71 GAA (0.52) ALDH1A1RECQLGAAKDM4EMAPT
SCHEMBL24378465 0.70 ECE1 (0.42) ALDH1A1RECQLGAAKDM4EMAPT
SCHEMBL16341368 0.69 ALDH1A1 (0.51) ALDH1A1COMTGAAKDM4EPOLB
SCHEMBL16561352 0.68 ALDH1A1 (0.50) ALDH1A1RECQLCOMTFGFR1FGFR4
SCHEMBL16340862 0.68 ALDH1A1 (0.50) ALDH1A1RECQLCOMTHPGDSMN1; SMN2
SCHEMBL16340835 0.68 ALDH1A1 (0.50) ALDH1A1COMTGAAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 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-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A ALDH1A1 387/4885RECQL 674/4885COMT 447/4885

“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.