SCHEMBL19251365

SCHEMBL19251365

CCC(C)(C)Oc1cnc2cccnc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BMPR1B O00238 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
OGA O60502 2/20 0.32
CACNA2D1 P54289 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL22752279 0.88 KDM4E (0.33) PDE10AKDM4ENPC1MAPTCYP3A4
SCHEMBL12458300 0.84 RIPK1 (0.41) PDE10AKDM4ENPC1MAPTCYP3A4
SCHEMBL169529 0.79 MAPT (0.47) PDE10AKDM4ENPC1MAPTCYP3A4
SCHEMBL619994 0.75 NPC1 (0.47) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29108823 0.75 ALDH1A1 (0.41) PDE10AKDM4ENPC1MAPTCYP3A4
SCHEMBL12524759 0.73 OGA (0.38) PDE10ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4383308 0.71 CYP1A2 (0.45) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL4386266 0.70 CCR1 (0.37) KDM4EMAPTAAK1RAB9AALDH1A1
SCHEMBL28684487 0.69 ALDH1A1 (0.51) KDM4ENPC1MAPTCYP3A4RAB9A
SCHEMBL27667137 0.69 ALDH1A1 (0.54) KDM4EMAPTCYP3A4ALDH1A1HPGD

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-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B PDE10A 1477/4885KDM4E 2371/4885NPC1 1885/4885

“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.