SCHEMBL16003886

SCHEMBL16003886

O=C(O)C1CCn2nc(-c3ccc(F)cc3)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.45
▸ PDE10A Q9Y233 6/20 0.44
▸ HSD11B1 P28845 3/20 0.41
▸ SCN9A Q15858 2/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ GRK2 P25098 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL16003887 0.88 PDE10A (0.45) PDE10AKDM4EMEN1LMNAKMT2A
SCHEMBL16340966 0.87 PDE10A (0.43) NOTUMPDE10AHSD11B1GRM5NPC1
SCHEMBL16320445 0.81 PDE10A (0.58) PDE10A
SCHEMBL16003900 0.78 NPC1 (0.42) PDE10ASCN9AGRM5NPC1RAB9A
SCHEMBL28879588 0.78 PDE10A (0.42) PDE10ASCN9AGRM5NPC1RAB9A
Hydrochloric Acid SCHEMBL16341551 0.77 NPC1 (0.41) PDE10ASCN9AGRM5NPC1RAB9A
SCHEMBL16320986 0.77 PDE10A (0.42) PDE10AGRM5MEN1KMT2A
SCHEMBL20854927 0.71 NPC1 (0.46) PDE10ANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL15578259 0.69 SCN9A (0.52) NOTUMSCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL16320668 0.68 PDE10A (0.59) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 — — US disclosed
US-8980889-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-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-20140378448-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
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 NOTUM 1917/4885PDE10A 1/4885HSD11B1 110/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A NOTUM 1917/4885PDE10A 1/4885HSD11B1 110/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A NOTUM 1917/4885PDE10A 1/4885HSD11B1 110/4885

“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.

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