SCHEMBL559239

SCHEMBL559239

Nc1cc2c(Br)cccc2cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
BACE1 P56817 2/20 0.47
FGFR1 P11362 3/20 0.41
EGFR P00533 5/20 0.40
MAP4K4 O95819 1/20 0.38
SRC P12931 2/20 0.37
NOS1 P29475 2/20 0.36
AXL P30530 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GPR3 P46089 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL29874279 1.00 PDPK1 (0.53) PDPK1BACE1FGFR1EGFRMAP4K4
SCHEMBL30871777 1.00 PDPK1 (0.53) PDPK1BACE1FGFR1EGFRMAP4K4
SCHEMBL2553675 0.85 PDPK1 (0.53) PDPK1BACE1FGFR1EGFRMAP4K4
SCHEMBL30774265 0.85 PDPK1 (0.53) PDPK1BACE1FGFR1EGFRMAP4K4
SCHEMBL30175614 0.80 PDPK1 (0.57) PDPK1FGFR1EGFRMAP4K4SRC
SCHEMBL4021192 0.80 PDPK1 (0.57) PDPK1FGFR1EGFRMAP4K4SRC
SCHEMBL28666568 0.80 FGFR1 (0.39) PDPK1BACE1FGFR1NOS1AXL
SCHEMBL30184761 0.80 FGFR1 (0.39) PDPK1BACE1FGFR1NOS1AXL
SCHEMBL23935936 0.77 PDPK1 (0.53) PDPK1BACE1FGFR1EGFRMAP4K4
SCHEMBL559707 0.77 PDPK1 (0.53) PDPK1FGFR1EGFRMAP4K4SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof BAUSCH + LOMB IRELAND LIMITED (IE) 2025-10-07 US disclosed
US-20240308965-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2024-09-19 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
WO-2024112201-A1 DNA GYRASE INHIBITORS UNIVERSITEIT LEIDEN (NL) 2024-05-30 WO disclosed
EP-4313951-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-02-07 EP disclosed
US-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2023-12-19 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
CN-117062804-A 1, 3-substituted cyclobutyl derivatives and their use 诺华股份有限公司 2023-11-14 CN disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 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 (6 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 PDPK1 1859/4885BACE1 723/4885FGFR1 4113/4885
US-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 PDPK1 1212/4885BACE1 1303/4885FGFR1 550/4885
US-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 PDPK1 1212/4885BACE1 1303/4885FGFR1 550/4885
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 PDPK1 697/4885BACE1 484/4885FGFR1 1309/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PDPK1 1859/4885BACE1 723/4885FGFR1 4113/4885
US-20240308965-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF TRPV1, TRPV3, TRPV2 PDPK1 1212/4885BACE1 1303/4885FGFR1 550/4885

“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.