SCHEMBL19086336

SCHEMBL19086336

N#Cc1c(-c2ccccc2)cc[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
MAPT P10636 1/20 0.56
PIM1 P11309 3/20 0.49
BIRC5 O15392 2/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
GALR3 O60755 1/20 0.47
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE9A O76083 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MCL1 Q07820 2/20 0.44
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL11449584 0.83 MAPT (0.58) ATMMAPTPIM1KDM4EHPGD
SCHEMBL10709427 0.81 MET (0.48) ATMMAPTPIM1KDM4EALDH1A1
SCHEMBL1162742 0.79 PIM1 (0.54) MAPTPIM1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9524498 0.79 KDM4E (0.43) ATMMAPTPIM1BIRC5KDM4E
SCHEMBL19416818 0.79 ALDH1A1 (0.55) ATMMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2822668 0.78 KDR (0.47) ATMMAPTALDH1A1MEN1KMT2A
SCHEMBL9356557 0.75 CYP3A4 (0.44) ATMMAPTKDM4EHPGDMEN1
SCHEMBL11026081 0.75 PARP1 (0.50) ATMPIM1BIRC5KDM4EALDH1A1
SCHEMBL4958212 0.74 ALDH1A1 (0.53) ATMMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5184144 0.73 PIM1 (0.61) MAPTPIM1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
CN-110248934-B Heteroaryl PAD4 inhibitors 帕德罗科治疗公司 2022-05-24 CN disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
CN-109956898-B Immunomodulator, preparation method and medical application thereof 上海海雁医药科技有限公司 2021-03-26 CN disclosed
CN-110248934-A Heteroaryl PAD4 inhibitor 帕德罗科治疗公司 2019-09-17 CN disclosed
EP-3510025-A1 HETEROARYL INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2019-07-17 EP disclosed
US-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-17 US disclosed
US-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-17 US disclosed
WO-2018049296-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-03-15 WO disclosed
WO-2017118762-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2017-07-13 WO disclosed
EP-3190103-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2017-07-12 EP disclosed
EP-3190103-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2017-07-12 EP 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 (3 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-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION PDCD1, CD274, PDCD1LG2 ATM 1741/4885MAPT 3038/4885PIM1 54/4885
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 ATM 1292/4885MAPT 3883/4885PIM1 2219/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 ATM 1292/4885MAPT 3883/4885PIM1 2219/4885

“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.