SCHEMBL14992245

SCHEMBL14992245

O=C1NCCc2c1ccc(Cl)c2F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
HTT P42858 1/20 0.50
PTK2B Q14289 1/20 0.50
PARP10 Q53GL7 13/20 0.47
PARP11 Q9NR21 11/20 0.47
PARP1 P09874 7/20 0.47
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
NOTUM Q6P988 1/20 0.41
PDPK1 O15530 1/20 0.41
GRM5 P41594 1/20 0.40

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
SCHEMBL1759917 0.82 NOTUM (0.56) ACHEHTTPTK2BPARP10PARP11
SCHEMBL4165821 0.82 ACHE (0.54) ACHEPARP10PARP11PARP1F7
SCHEMBL4168311 0.79 PARP1 (0.60) ACHEPARP10PARP11PARP1PDPK1
SCHEMBL29914781 0.79 PARP10 (0.60) ACHEPARP10PARP11PARP1PDPK1
SCHEMBL32669326 0.76 PARP10 (0.44) ACHEHTTPTK2BPARP10PARP11
SCHEMBL30233773 0.75 PARP1 (0.64) ACHEHTTPTK2BPARP10PARP11
SCHEMBL797996 0.75 PARP1 (0.64) ACHEHTTPTK2BPARP10PARP11
SCHEMBL24681002 0.75 PARP10 (0.42) ACHEHTTPTK2BPARP10PARP11
SCHEMBL31038041 0.74 NOTUM (0.66) HTTPTK2BNOTUM
SCHEMBL30437990 0.74 HPGD (0.41) HTTPTK2BPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346592-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION 2025-11-13 US disclosed
EP-4531849-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2025-04-09 EP disclosed
CN-119604287-A Heterocyclic PAD4 inhibitors 细胞基因公司 2025-03-11 CN disclosed
WO-2023230609-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2023-11-30 WO disclosed
WO-2023230609-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2023-11-30 WO disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
EP-2785695-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO 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-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 ACHE 4312/4885HTT 4345/4885PTK2B 4092/4885
US-20250346592-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI6, PADI2 ACHE 1651/4885HTT 3210/4885PTK2B 1843/4885

“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.