SCHEMBL16699926

SCHEMBL16699926

NC(=O)c1ccnn1C1CCn2cc(-c3ccccc3)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ PDE10A Q9Y233 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ P2RX7 Q99572 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL16701251 0.80 PDE10A (0.41) PDE10A
SCHEMBL408909 0.74 WDR5 (0.52) WDR5ALDH1A1PDE10AKDM4ELMNA
Hydrochloric Acid SCHEMBL441011 0.73 WDR5 (0.51) WDR5ALDH1A1PDE10AKDM4ELMNA
SCHEMBL16003614 0.73 ALDH1A1 (0.56) WDR5ALDH1A1PDE10AKDM4ELMNA
Hydrochloric Acid SCHEMBL16341562 0.72 ALDH1A1 (0.55) WDR5ALDH1A1PDE10AKDM4ELMNA
SCHEMBL4043341 0.70 KMT2A (0.43) ALDH1A1LMNAGAAMAPT
SCHEMBL14335095 0.69 GAA (0.62) ALDH1A1GAAMAPT
SCHEMBL26416283 0.68 NR3C2 (0.49) ALDH1A1LMNAGAAMAPT
SCHEMBL26396444 0.68 NR3C2 (0.46) ALDH1A1LMNAGAAMAPT
SCHEMBL439468 0.67 PKM (0.48) ALDH1A1PDE10AKDM4EHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A WDR5 1860/4885ALDH1A1 387/4885PDE10A 1/4885

“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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