SCHEMBL16320528

SCHEMBL16320528

Cc1cncc(-c2cnn(C)c2C(N)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.43
PDE10A Q9Y233 4/20 0.41
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CYP11B2 P19099 1/20 0.34
AR P10275 3/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CHEK1 O14757 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
AHR P35869 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL16003305 0.87 PDE10A (0.42) TGFBR1PDE10AALDH1A1HTTKDM4E
SCHEMBL16341076 0.84 PDE10A (0.41) TGFBR1PDE10AALDH1A1HTTKDM4E
SCHEMBL16003315 0.83 PDE10A (0.42) TGFBR1PDE10AALDH1A1CYP11B2HTT
SCHEMBL16352261 0.83 PDE10A (0.40) TGFBR1PDE10AALDH1A1MAPTCYP11B2
SCHEMBL16561478 0.82 LRRK2 (0.35) TGFBR1PDE10AALDH1A1MAPTMKNK1
SCHEMBL16320446 0.81 TGFBR1 (0.50) TGFBR1PDE10A
SCHEMBL16323640 0.77 MAPT (0.37) TGFBR1ALDH1A1MAPTMKNK1MKNK2
SCHEMBL16561473 0.75 JAK2 (0.37) PDE10AALDH1A1MAPTMKNK1MKNK2
SCHEMBL16320863 0.74 TGFBR1 (0.47) TGFBR1PDE10AALDH1A1MAPTAR
SCHEMBL16561138 0.73 PDE10A (0.45) TGFBR1PDE10AALDH1A1MAPTKDM4E

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 9 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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-8980889-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
US-20140378447-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 (5 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 TGFBR1 2867/4885PDE10A 1/4885ALDH1A1 387/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TGFBR1 2867/4885PDE10A 1/4885ALDH1A1 387/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TGFBR1 2867/4885PDE10A 1/4885ALDH1A1 387/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TGFBR1 2867/4885PDE10A 1/4885ALDH1A1 387/4885
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TGFBR1 2867/4885PDE10A 1/4885ALDH1A1 387/4885

“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.