SCHEMBL858689

SCHEMBL858689

NC(=O)C1=CC=Cc2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX4 Q99571 1/20 0.35
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SCN4A P35499 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Hydrochloric Acid SCHEMBL27291094 0.98 MAPT (0.44) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL27661234 0.86 MAPT (0.45) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL27819720 0.86 MAPT (0.48) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL8330072 0.84 MAPT (0.47) MAPTGAARAB9ASMN1; SMN2P2RX4
Hydrochloric Acid SCHEMBL8332139 0.83 MAPT (0.45) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL14691822 0.83 MAPT (0.45) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL29013777 0.80 MAPT (0.42) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL9935617 0.80 MAPT (0.54) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL28529505 0.79 MAPT (0.41) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL27283728 0.79 MAPT (0.45) MAPTGAARAB9ASMN1; SMN2P2RX4

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-09-29 US claimed
CN-114716426-A Antiviral compounds 詹森生物制药有限公司 2022-07-08 CN claimed
EP-3468963-B1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2021-10-27 EP claimed
WO-2020255038-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 WO claimed
US-10590112-B2 Dihydropyrimidinyl benzazepine carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2020-03-17 US claimed
US-20190135788-A1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2019-05-09 US claimed
EP-3468963-A1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2019-04-17 EP claimed
WO-2017216054-A1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2017-12-21 WO claimed
CN-105636936-A Antiviral compounds ALIOS BIOPHARMA INC 2016-06-01 CN claimed
CN-1038099-A Alpha-adrenergic aceptor antagonist SMITHKLINE BECKMAN CORP (US) 1989-12-20 CN claimed
US-20240208986-A1 PHENYL AZEPINES AS RIPK1 INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
EP-4329765-A1 PHENYL AZEPINES AS RIPK1 INHIBITORS AND METHODS OF USE THEREOF Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
US-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-09-29 US disclosed
US-11046671-B2 Dihydropyrimidinyl benzazepine carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2021-06-29 US disclosed
WO-2020255038-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 WO disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 WO disclosed
US-5063230-A Substituted saturated and unsaturated indole quinoline and benzazepine carboxamides and their use as pharmacological agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-11-05 US disclosed
US-4920219-A Substituted saturated and unsaturated indole quinoline and benzazepine carboxamides and their use as pharmacological agents RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
CN-1038099-A Alpha-adrenergic aceptor antagonist SMITHKLINE BECKMAN CORP (US) 1989-12-20 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 (5 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-20190135788-A1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS TLR8, TLR1, TLR5 MAPT 3791/4885GAA 3743/4885RAB9A 2591/4885
US-10590112-B2 Dihydropyrimidinyl benzazepine carboxamide compounds TLR8, TLR1, TLR5 MAPT 3791/4885GAA 3743/4885RAB9A 2591/4885
US-20240208986-A1 PHENYL AZEPINES AS RIPK1 INHIBITORS AND METHODS OF USE THEREOF RIPK1, RIPK2, RIPK4 MAPT 3192/4885GAA 683/4885RAB9A 642/4885
US-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES HAVCR2, ENTPD5, HMGB3 MAPT 4151/4885GAA 3346/4885RAB9A 3225/4885
US-11046671-B2 Dihydropyrimidinyl benzazepine carboxamide compounds TLR8, TLR1, TLR5 MAPT 3791/4885GAA 3743/4885RAB9A 2591/4885

“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.