SCHEMBL23938013

SCHEMBL23938013

FC(F)n1ccc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
CYP2C19 P33261 1/20 0.42
CDC7 O00311 1/20 0.42
CDK2 P24941 1/20 0.42
SLC22A12 Q96S37 8/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ENPP1 P22413 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL30991276 1.00 PARP1 (0.46) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL8134942 0.81 PARP1 (0.44) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL598048 0.81 PARP1 (0.46) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL8135638 0.78 PARP1 (0.47) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL2586507 0.77 P2RX7 (0.50) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL20181945 0.75 PARP1 (0.41) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL28822882 0.74 PARP1 (0.55) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL29865575 0.74 PARP1 (0.55) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL20181931 0.73 SLC6A2 (0.43) PARP1CYP2C19CDC7CDK2SLC22A12
SCHEMBL2127223 0.73 PARP1 (0.50) PARP1CYP2C19SLC22A12L3MBTL1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 US disclosed
CN-112279849-A N-difluoromethyl azaindole compound and synthesis method thereof 丽水学院 2021-01-29 CN disclosed
CN-110121499-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2019-08-13 CN 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 PARP1 417/4885CYP2C19 2677/4885CDC7 1026/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 PARP1 417/4885CYP2C19 2677/4885CDC7 1026/4885

“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.