SCHEMBL16320404

SCHEMBL16320404

Cc1nn(C)cc1-c1nc(C)c(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
COMT P21964 1/20 0.39
MET P08581 2/20 0.34
PDE3A Q14432 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KIT P10721 1/20 0.32
PIM1 P11309 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL16320429 0.82 ALDH1A1 (0.47) ALDH1A1COMTMETPDE3ASMN1; SMN2
SCHEMBL16341153 0.75 ALDH1A1 (0.44) ALDH1A1COMTSMN1; SMN2POLBKIT
SCHEMBL16319821 0.74 KIT (0.41) ALDH1A1COMTMETPDE3ASMN1; SMN2
SCHEMBL15954124 0.72 NOS1 (0.31)
SCHEMBL16320750 0.71 ALDH1A1 (0.44) ALDH1A1COMTMETPDE3ASMN1; SMN2
SCHEMBL16561250 0.71 ALDH1A1 (0.56) ALDH1A1COMTSMN1; SMN2PIM1
SCHEMBL16341185 0.70 ALDH1A1 (0.46) ALDH1A1COMTMETPDE3ASMN1; SMN2
SCHEMBL16561352 0.67 ALDH1A1 (0.50) ALDH1A1COMTMETPDE3ASMN1; SMN2
SCHEMBL16340862 0.67 ALDH1A1 (0.50) ALDH1A1COMTSMN1; SMN2PIM1
SCHEMBL16321325 0.66 ALDH1A1 (0.37) ALDH1A1COMTMETPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 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 (6 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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A ALDH1A1 387/4885COMT 447/4885MET 4726/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A ALDH1A1 387/4885COMT 447/4885MET 4726/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A ALDH1A1 387/4885COMT 447/4885MET 4726/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A ALDH1A1 387/4885COMT 447/4885MET 4726/4885
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A ALDH1A1 387/4885COMT 447/4885MET 4726/4885
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A ALDH1A1 387/4885COMT 447/4885MET 4726/4885

“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.