SCHEMBL11931389

SCHEMBL11931389

NNc1ccc2nc(Cc3ccccc3)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
MAPT P10636 3/20 0.66
PKM P14618 2/20 0.66
KDM4E B2RXH2 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
TSHR P16473 1/20 0.63
ERBB2 P04626 3/20 0.60
RIPK1 Q13546 1/20 0.56
GRIN1 Q05586 9/20 0.55
GRIN2B Q13224 9/20 0.55
F2 P00734 1/20 0.54
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
Hydrochloric Acid SCHEMBL6645245 0.99 GAA (0.68) GAAMAPTPKMKDM4ETDP1
Hydrochloric Acid SCHEMBL6645238 0.89 GAA (0.60) GAAMAPTPKMKDM4ETDP1
SCHEMBL8557293 0.81 MAPT (0.97) GAAMAPTPKMKDM4ETDP1
SCHEMBL11931390 0.79 DDAH1 (0.53) GAAMAPTPKMKDM4ETDP1
SCHEMBL8973998 0.79 POLB (0.71) GAAMAPTPKMKDM4ETDP1
SCHEMBL4164831 0.78 EGFR (0.76) GAAMAPTPKMKDM4ETDP1
SCHEMBL8974447 0.77 GAA (0.67) GAAMAPTPKMKDM4ETDP1
SCHEMBL11932291 0.77 KDM4E (0.55) MAPTPKMKDM4ETDP1RAB9A
Bendazol SCHEMBL29539948 0.76 GAA (1.00) GAAMAPTPKMKDM4ETDP1
Bendazol SCHEMBL309393 0.76 GAA (1.00) GAAMAPTPKMKDM4ETDP1

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
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 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 (2 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 GAA 3930/4885MAPT 4214/4885PKM 3909/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 GAA 3862/4885MAPT 4330/4885PKM 2661/4885

“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.