SCHEMBL646316

SCHEMBL646316

COC(=O)c1ccc(C#N)c(CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 6/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
RORC P51449 1/20 0.40
NOTUM Q6P988 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL29976609 1.00 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL2781238 0.88 MAPT (0.41) CA1CA2CA12CA7CA9
SCHEMBL2475565 0.88 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL18216621 0.85 MAPT (0.46) CA1CA2CA12CA7CA9
SCHEMBL31395805 0.85 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL19387956 0.83 NPC1 (0.42) CA1CA2CA12CA7CA9
SCHEMBL1028046 0.80 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL29559628 0.80 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL8148281 0.80 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL27168723 0.80 ALDH1A1 (0.49) CA1CA2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4333985-B1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS INC (US) 2025-07-30 EP disclosed
US-20240262814-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2024-08-08 US disclosed
EP-4333985-A1 MODULATORS OF TREX1 Constellation Pharmaceuticals, Inc. (US) 2024-03-13 EP disclosed
CN-117561251-A Modulators of TREX1 星座制药公司 2024-02-13 CN disclosed
WO-2022235725-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2022-11-10 WO disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20080214593-A1 TETRACYCLIC AMINO AND CARBOXAMIDO COMPOUNDS AND METHODS OF USE THEREOF JAGTAP PRAKASH 2008-09-04 US disclosed
EP-1937268-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2008-07-02 EP disclosed
US-7381722-B2 Tetracyclic amino and carboxamido compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-06-03 US disclosed
US-7381722-B2 Tetracyclic amino and carboxamido compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-06-03 US disclosed
EP-1855676-A4 TETRACYCLIC AMINO AND CARBOXAMIDO COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-05-21 EP disclosed
EP-1855676-A1 TETRACYCLIC AMINO AND CARBOXAMIDO COMPOUNDS AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2007-11-21 EP disclosed
WO-2007025009-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20060287312-A1 Tetracyclic amino and carboxamido compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2006-12-21 US disclosed
WO-2006093667-A1 TETRACYCLIC AMINO AND CARBOXAMIDO COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2006-09-08 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 (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-20080214593-A1 TETRACYCLIC AMINO AND CARBOXAMIDO COMPOUNDS AND METHODS OF USE THEREOF GLS, AADAT, IAPP CA1 253/4885CA2 927/4885CA12 1387/4885
US-20240262814-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 CA1 4609/4885CA2 3783/4885CA12 4695/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS CA1 4454/4885CA2 4442/4885CA12 4746/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CA1 4454/4885CA2 4442/4885CA12 4746/4885
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 CA1 3010/4885CA2 3674/4885CA12 4412/4885
US-20060287312-A1 Tetracyclic amino and carboxamido compounds and methods of use thereof GLS, AADAT, IAPP CA1 253/4885CA2 927/4885CA12 1387/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CA1 4454/4885CA2 4442/4885CA12 4746/4885

“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.