SCHEMBL21273091

SCHEMBL21273091

O=c1[nH]cnc2c1cc(Cl)n2-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAT2A P31153 1/20 0.40
IP6K1 Q92551 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
IP6K3 Q96PC2 1/20 0.40
IGF1R P08069 2/20 0.39
PIM1 P11309 2/20 0.39
CLK2 P49760 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CDC7 O00311 1/20 0.39

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
SCHEMBL21272834 0.89 PARP1 (0.47) PARP1ALDH1A1IP6K1MAPTHPGD
SCHEMBL20971266 0.88 ALDH1A1 (0.50) PARP1ALDH1A1NPC1CA12CA9
SCHEMBL21272838 0.84 IP6K1 (0.46) PARP1ALDH1A1MAT2AIP6K1IP6K3
SCHEMBL21273055 0.83 PARP1 (0.39) PARP1ALDH1A1CA12CA1CA2
SCHEMBL15533284 0.82 ALDH1A1 (0.43) PARP1ALDH1A1NPC1CA12CA1
SCHEMBL21273155 0.80 CYP2C9 (0.46) ALDH1A1MAPTKMT2A
SCHEMBL21273193 0.80 USP7 (0.48) PARP1ALDH1A1MAT2AIP6K1MAPT
SCHEMBL21272804 0.80 PIM1 (0.43) PARP1ALDH1A1MAT2AMAPTHPGD
Hydrochloric Acid SCHEMBL23754621 0.78 DYRK1A (0.34) PARP1ALDH1A1MAT2AIP6K1MAPT
SCHEMBL21273213 0.78 USP7 (0.40) PARP1ALDH1A1NPC1IP6K1MAPT

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 PARP1 719/4885ALDH1A1 1201/4885NPC1 2824/4885
US-10766903-B2 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 USP7, USP5, UBA7 PARP1 719/4885ALDH1A1 1201/4885NPC1 2824/4885

“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.