SCHEMBL104103

SCHEMBL104103

CC(C)NC1CCCCC1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
PIM1 P11309 2/20 0.37
ADRB2 P07550 1/20 0.36
MGAM O43451 2/20 0.33
SI P14410 2/20 0.33
SLC18A3 Q16572 1/20 0.33
HTR1A P08908 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL14017850 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL13741733 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL25590418 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL14017853 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL21916643 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL21309834 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL23970227 0.98 CA1 (0.39) CA1CA2CA4PIM1ADRB2
SCHEMBL25589779 0.98 CA1 (0.39) CA1CA2CA4PIM1ADRB2
SCHEMBL8905513 0.98 CA1 (0.39) CA1CA2CA4PIM1ADRB2
SCHEMBL25589781 0.98 CA1 (0.39) CA1CA2CA4PIM1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322731-A1 HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. 2023-10-12 US disclosed
US-11713307-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2023-08-01 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-11344543-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2022-05-31 US disclosed
US-11266643-B2 Triaryl compounds for treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2022-03-08 US disclosed
WO-2021076688-A1 HETEROARYL-BIPHENYL AMINES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. (US) 2021-04-22 WO disclosed
WO-2021076691-A1 HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. (US) 2021-04-22 WO disclosed
US-20200383979-A1 TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. 2020-12-10 US disclosed
WO-2020232256-A1 TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. (US) 2020-11-19 WO disclosed
EP-3221306-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
US-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-07-24 US disclosed
US-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-07-24 US disclosed
US-20180002327-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-01-04 US disclosed
US-20170327509-A1 TWO-PHOTON ABSORBING FLUOROPHORES AND METHOD FOR CELLULAR IMAGING USING THE SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-11-16 US disclosed
US-20170327509-A1 TWO-PHOTON ABSORBING FLUOROPHORES AND METHOD FOR CELLULAR IMAGING USING THE SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-11-16 US disclosed
US-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-4298739-A ANTICOAGULANTS, ANTIINFLAMMATORY, ANTIULCER, VASODILATOR, PHOSPHODIESTERASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-03 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 (11 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CA1 4389/4885CA2 3206/4885CA4 2892/4885
US-20230322731-A1 HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES CD274, PDCD1LG2, PDCD1 CA1 4751/4885CA2 4820/4885CA4 4680/4885
US-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 CA1 4867/4885CA2 4630/4885CA4 4859/4885
US-11713307-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CD274, PDCD1LG2, PDCD1 CA1 4751/4885CA2 4820/4885CA4 4680/4885
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 CA1 4867/4885CA2 4630/4885CA4 4859/4885
US-20180002327-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 CA1 4867/4885CA2 4630/4885CA4 4859/4885
US-20200383979-A1 TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CD274, PDCD1, PDCD1LG2 CA1 4584/4885CA2 4828/4885CA4 4410/4885
US-11344543-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD CA1 4701/4885CA2 3809/4885CA4 4272/4885
US-20170327509-A1 TWO-PHOTON ABSORBING FLUOROPHORES AND METHOD FOR CELLULAR IMAGING USING THE SAME ACE2, DNPEP, ACE CA1 1150/4885CA2 750/4885CA4 336/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 CA1 3437/4885CA2 2956/4885CA4 4502/4885
US-11266643-B2 Triaryl compounds for treatment of PD-L1 diseases CD274, PDCD1, PDCD1LG2 CA1 4584/4885CA2 4828/4885CA4 4410/4885

“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.