SCHEMBL16003305

SCHEMBL16003305

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TGFBR1 P36897 1/20 0.36
CHEK1 O14757 2/20 0.36
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
APOBEC3A P31941 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
LPAR1 Q92633 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 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
SCHEMBL16320528 0.87 TGFBR1 (0.43) PDE10AKDM4EALDH1A1TGFBR1CHEK1
SCHEMBL16341076 0.85 PDE10A (0.41) PDE10AKDM4EALDH1A1TGFBR1MEN1
SCHEMBL16352261 0.84 PDE10A (0.40) PDE10AKDM4EALDH1A1TGFBR1KMT2A
SCHEMBL16003315 0.84 PDE10A (0.42) PDE10AKDM4EALDH1A1TGFBR1GAA
SCHEMBL16003316 0.82 KDM4E (0.44) PDE10AKDM4EALDH1A1POLBGAA
SCHEMBL16003622 0.81 FFAR4 (0.37) PDE10AKDM4EALDH1A1CHEK1POLB
SCHEMBL16003310 0.81 PDE10A (0.50) PDE10AKDM4EALDH1A1TGFBR1
SCHEMBL28338363 0.81 KDM4E (0.43) PDE10AKDM4EALDH1A1POLBGAA
SCHEMBL16572677 0.80 CHEK1 (0.33) PDE10AKDM4EALDH1A1CHEK1LPAR1
Hydrochloric Acid SCHEMBL28338149 0.79 PDE10A (0.49) PDE10AKDM4EALDH1A1TGFBR1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US claimed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US claimed
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
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-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 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-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-8980888-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
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
US-20140378447-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
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
WO-2014133046-A1 NOVEL PYRAZOLE DERIVATIVE 持田製薬株式会社 (JP) 2014-09-04 WO 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 (3 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-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PDE10A 1/4885KDM4E 1309/4885ALDH1A1 387/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PDE10A 1/4885KDM4E 1309/4885ALDH1A1 387/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PDE10A 1/4885KDM4E 1309/4885ALDH1A1 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.