SCHEMBL16003900

SCHEMBL16003900

NC1CCn2nc(-c3ccc(F)cc3)nc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ PDE10A Q9Y233 6/20 0.41
▸ HRH4 Q9H3N8 3/20 0.39
▸ AHR P35869 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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 SCHEMBL16341551 0.99 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL16003898 0.85 CKS1B (0.40) POLBPDE10A
Hydrochloric Acid SCHEMBL16341064 0.84 CKS1B (0.40) POLBPDE10A
SCHEMBL16003826 0.83 PDE10A (0.43) PDE10AGRM5
Hydrochloric Acid SCHEMBL16320093 0.82 PDE10A (0.42) PDE10AGRM5
SCHEMBL16003886 0.78 NOTUM (0.45) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL16340966 0.76 PDE10A (0.43) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL20854927 0.75 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL16320445 0.75 PDE10A (0.58) PDE10A
SCHEMBL16003303 0.72 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HRH4MAPT

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 26 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 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-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-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 — — 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-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 — — US disclosed
US-20150133448-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-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-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
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 (4 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 NPC1 2151/4885RAB9A 232/4885SMN1; SMN2 1003/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A NPC1 2151/4885RAB9A 232/4885SMN1; SMN2 1003/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A NPC1 2151/4885RAB9A 232/4885SMN1; SMN2 1003/4885
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A NPC1 2151/4885RAB9A 232/4885SMN1; SMN2 1003/4885

“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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