SCHEMBL20675604

SCHEMBL20675604

Cc1cc2ncccc2cc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MET P08581 4/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
P2RX3 P56373 1/20 0.47
P2RX2 Q9UBL9 1/20 0.47
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
CASP6 P55212 1/20 0.42
KDM4E B2RXH2 3/20 0.42
CASP1 P29466 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR4A2 P43354 1/20 0.42

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
SCHEMBL12410897 0.87 P2RX3 (0.54) ALDH1A1METPDGFRBPDGFRAP2RX3
SCHEMBL27988632 0.86 ALDH1A1 (0.47) ALDH1A1METPDGFRBPDGFRAP2RX3
SCHEMBL29869723 0.86 ALDH1A1 (0.47) ALDH1A1METPDGFRBPDGFRAP2RX3
SCHEMBL28864863 0.86 ALDH1A1 (0.47) ALDH1A1METPDGFRBPDGFRAP2RX3
SCHEMBL28864791 0.86 ALDH1A1 (0.47) ALDH1A1METPDGFRBPDGFRAP2RX3
SCHEMBL21026904 0.81 ALDH1A1 (0.49) ALDH1A1METPDGFRBPDGFRAP2RX3
SCHEMBL12165434 0.81 MET (0.49) ALDH1A1METPDGFRBPDGFRAP2RX3
SCHEMBL26030859 0.81 PDGFRB (0.46) ALDH1A1METPDGFRBPDGFRAP2RX3
SCHEMBL31186675 0.81 ALDH1A1 (0.61) ALDH1A1PDGFRBPDGFRANPC1POLB
SCHEMBL8404544 0.81 ALDH1A1 (0.61) ALDH1A1PDGFRBPDGFRANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC (US) 2022-07-14 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-10793561-B2 1,8-naphthyridinone compounds and uses thereof NUVATION BIO INC. (US) 2020-10-06 US disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 US disclosed
WO-2020150674-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2020-07-23 WO disclosed
US-20190023702-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 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 (7 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-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 ALDH1A1 1543/4885MET 895/4885PDGFRB 475/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 ALDH1A1 622/4885MET 386/4885PDGFRB 1057/4885
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ALDH1A1 2100/4885MET 345/4885PDGFRB 527/4885
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ALDH1A1 2100/4885MET 345/4885PDGFRB 527/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ALDH1A1 2100/4885MET 345/4885PDGFRB 527/4885
US-10793561-B2 1,8-naphthyridinone compounds and uses thereof NME1, ADORA2A, GPR68 ALDH1A1 1543/4885MET 895/4885PDGFRB 475/4885
US-20190023702-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 ALDH1A1 1543/4885MET 895/4885PDGFRB 475/4885

“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.