SCHEMBL3890977

SCHEMBL3890977

NCc1ccc2c(N)noc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.46
AURKB Q96GD4 1/20 0.43
IDO1 P14902 6/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
KLKB1 P03952 3/20 0.35
MAP4K1 Q92918 2/20 0.35
MASP2 O00187 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
F9 P00740 1/20 0.34
MAPK14 Q16539 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
Hydrochloric Acid SCHEMBL23201164 0.98 ROCK1 (0.45) ROCK1AURKBIDO1LOXL2KLKB1
SCHEMBL7534371 0.93 ROCK1 (0.41) ROCK1AURKBIDO1LOXL2KLKB1
Methylsulfanylmethane SCHEMBL7534377 0.92 ROCK1 (0.41) ROCK1AURKBIDO1LOXL2KLKB1
Trifluoroacetic Acid SCHEMBL30386438 0.85 AURKB (0.43) ROCK1AURKBIDO1KLKB1MAP4K1
SCHEMBL17442864 0.85 ROCK1 (0.42) ROCK1AURKBIDO1LOXL2CA12
Hydrochloric Acid SCHEMBL17442621 0.84 ROCK1 (0.41) ROCK1AURKBIDO1LOXL2CA12
SCHEMBL12012754 0.84 NOS3 (0.39) IDO1KLKB1MAP4K1MASP2F9
SCHEMBL29673224 0.80 CHRNB2 (0.40) ROCK1LOXL2CA12CA1CA2
SCHEMBL13486443 0.80 IKBKE (0.43) ROCK1AURKBIDO1KLKB1MAP4K1
SCHEMBL21596776 0.80 LMNA (0.40) IDO1KLKB1MAP4K1MASP2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMA INC (US) 2026-03-05 US disclosed
EP-3788039-B1 FACTOR XIIA INHIBITORS UNIV LEEDS INNOVATIONS LTD (GB) 2026-02-11 EP disclosed
WO-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20210087172-A1 FACTOR XIIa INHIBITORS UNIVERSITY OF LEEDS (GB) 2021-03-25 US disclosed
US-20210087172-A1 FACTOR XIIa INHIBITORS UNIVERSITY OF LEEDS (GB) 2021-03-25 US disclosed
EP-3788039-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-03-10 EP disclosed
CN-112204023-A Factor XIIa inhibitors 利兹大学 2021-01-08 CN disclosed
US-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATOIRES SERVIER (FR) 2005-04-21 US disclosed
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. 2004-12-16 US disclosed
EP-1476421-A2 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVE LES LABORATOIRES SERVIER (FR) 2004-11-17 EP disclosed
EP-1448534-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OFTHE COAGULATION CASCADE Pharmacia Corporation (US) 2004-08-25 EP disclosed
US-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 US disclosed
WO-2003070690-A2 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVE LES LABORATOIRES SERVIER (FR) 2003-08-28 WO disclosed
WO-2003029224-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed
US-6376499-B1 PIPERAZINE-AMIDE COMPOUND WITH ANTICOAGULANT ACTIVITY MERCK & CO., INC. 2002-04-23 US disclosed
EP-1124823-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026210-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 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-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS C9, SSB, C1S ROCK1 3348/4885AURKB 4489/4885IDO1 3703/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ROCK1 1922/4885AURKB 1800/4885IDO1 3923/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ROCK1 1922/4885AURKB 1800/4885IDO1 3923/4885
US-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative ARGLU1, PNISR, ATIC ROCK1 2956/4885AURKB 3500/4885IDO1 2455/4885
US-20210087172-A1 FACTOR XIIa INHIBITORS F11, F13B, F12 ROCK1 432/4885AURKB 3487/4885IDO1 2712/4885
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors TFPI, F12, SPINT2 ROCK1 1751/4885AURKB 2863/4885IDO1 1412/4885
US-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 ROCK1 3738/4885AURKB 1757/4885IDO1 3388/4885

“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.