SCHEMBL4135331

SCHEMBL4135331

Cc1cnc2ccc(=O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
HCAR1 Q9BXC0 5/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
MAPKAPK2 P49137 1/20 0.42
RPS6KA3 P51812 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.40
PIN1 Q13526 1/20 0.40
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2619124 0.85 MAPKAPK2 (0.50) CA12CA9PDE3BPDE3AMAPKAPK2
SCHEMBL31093789 0.79 F11 (0.47) HCAR1PDE3BPDE3AMAPKAPK2RPS6KA3
SCHEMBL4137137 0.79 F11 (0.47) HCAR1PDE3BPDE3AMAPKAPK2RPS6KA3
SCHEMBL4135759 0.78 DYRK1A (0.49) HCAR1PDE3BPDE3AMAPKAPK2RPS6KA3
SCHEMBL1378724 0.78 MAPKAPK2 (0.42) HCAR1PDE3BPDE3AMAPKAPK2RPS6KA3
SCHEMBL9980482 0.78 MAPKAPK2 (0.42) CA12CA9HCAR1PDE3BPDE3A
SCHEMBL1374700 0.77 MMP12 (0.47) HCAR1PDE3BPDE3AALDH1A1CYP1A2
SCHEMBL19737587 0.77 MAPT (0.40) CA12CA9HCAR1PDE3BPDE3A
SCHEMBL19751457 0.77 PDE3B (0.44) HCAR1PDE3BPDE3AMAPKAPK2RPS6KA3
SCHEMBL15829280 0.77 SCN10A (0.43) PDE3BPDE3AMAPKAPK2RPS6KA3CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-20220089595-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-03-24 US disclosed
US-11230545-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 US disclosed
US-20210332045-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-28 US disclosed
US-20210317111-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-10-14 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
WO-2011149937-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-12-01 WO disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 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 (10 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-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA9 1916/4885HCAR1 949/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA9 1916/4885HCAR1 949/4885
US-20220089595-A1 HETEROCYCLIC COMPOUND MALT1, SQSTM1, PPM1D CA12 1633/4885CA9 1037/4885HCAR1 1620/4885
US-11230545-B2 Heterocyclic compound MALT1, SQSTM1, PPM1D CA12 1633/4885CA9 1037/4885HCAR1 1620/4885
US-20210332045-A1 HETEROCYCLIC COMPOUND MALT1, SQSTM1, PPM1D CA12 1633/4885CA9 1037/4885HCAR1 1620/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 CA12 3199/4885CA9 2336/4885HCAR1 2074/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3657/4885CA9 1913/4885HCAR1 995/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 CA12 889/4885CA9 2191/4885HCAR1 1208/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 CA12 1232/4885CA9 2402/4885HCAR1 1360/4885
US-20210317111-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE FABP2, SLC10A2, NFKBIA CA12 3911/4885CA9 4572/4885HCAR1 410/4885

“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.