SCHEMBL21272824

SCHEMBL21272824

CCn1cc2nc[nH]c(=O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.51
▸ PARP1 P09874 6/20 0.39
▸ ADORA2A P29274 3/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PDPK1 O15530 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36

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
SCHEMBL364844 0.80 ADORA3 (0.50) ADORA3ADORA2APDE4APDE4BPDE4C
SCHEMBL19208631 0.80 ADORA3 (0.51) ADORA3PARP1SMN1; SMN2PDPK1CA12
SCHEMBL19208420 0.79 KDM4E (0.44) ADORA3SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL7419559 0.78 ADORA3 (0.48) ADORA3PARP1ADORA2APDE4APDE4B
SCHEMBL7422510 0.78 ADORA3 (0.48) ADORA3PARP1ADORA2APDE4APDE4B
SCHEMBL7062655 0.77 ADORA3 (0.55) ADORA3PARP1SMN1; SMN2PDPK1CA12
SCHEMBL7416789 0.76 ADORA3 (0.42) ADORA3SMN1; SMN2PDPK1KDM4EHPGD
Hydrochloric Acid SCHEMBL30194697 0.76 ADORA3 (0.54) ADORA3PARP1SMN1; SMN2PDPK1CA12
SCHEMBL5351059 0.74 ADORA3 (0.43) ADORA3ADORA2APDE4APDE4BPDE4C
SCHEMBL7180282 0.74 ADORA3 (0.52) ADORA3PARP1SMN1; SMN2PDPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026832-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 Almac Discovery Limited (GB) 2022-07-13 — — EP disclosed
US-10766903-B2 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 ALMAC DISCOVERY LIMITED (GB) 2020-09-08 — — US disclosed
US-20190256518-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 GENETECH, INC. 2019-08-22 — — 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 (2 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-20190256518-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 USP7, USP5, UBA7 ADORA3 4630/4885PARP1 719/4885ADORA2A 4706/4885
US-10766903-B2 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 USP7, USP5, UBA7 ADORA3 4630/4885PARP1 719/4885ADORA2A 4706/4885

“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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