SCHEMBL61904

SCHEMBL61904

CC(C)c1n[nH]c2cccc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 3/20 0.40
▸ ROCK1 Q13464 3/20 0.40
▸ KDR P35968 3/20 0.40
▸ PLK4 O00444 2/20 0.40
▸ AURKA O14965 2/20 0.40
▸ LCK P06239 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ LYN P07948 2/20 0.40
▸ FGFR1 P11362 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ MARK3 P27448 2/20 0.40
▸ BLK P51451 2/20 0.40
▸ CSNK2A1 P68400 2/20 0.40
▸ MARK2 Q7KZI7 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ SGK2 Q9HBY8 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CDK5 Q00535 2/20 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
SCHEMBL31532701 0.77 — —
SCHEMBL62421 0.76 KDR (0.38) PDPK1ROCK1KDRPLK4AURKA
SCHEMBL19134544 0.76 HTR2A (0.48) PDPK1ROCK1KDRPLK4AURKA
SCHEMBL6830412 0.76 PDPK1 (0.43) PDPK1ROCK1KDRPLK4AURKA
SCHEMBL2694323 0.75 BTK (0.35) —
SCHEMBL28919844 0.75 PDPK1 (0.46) PDPK1ROCK1KDRPLK4AURKA
SCHEMBL91098 0.75 KDR (0.37) PDPK1ROCK1KDRPLK4AURKA
SCHEMBL23604563 0.72 PDPK1 (0.52) PDPK1ROCK1KDRPLK4AURKA
SCHEMBL760018 0.72 PDPK1 (0.61) PDPK1ROCK1KDRPLK4AURKA
SCHEMBL30723792 0.72 KDR (0.44) PDPK1ROCK1KDRPLK4AURKA

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
WO-2025111513-A1 COMPOUNDS USEFUL IN THE MODULATION OF KLHDC1 AND KLHDC2 ACTIVITY NURIX THERAPEUTICS, INC. (US) 2025-05-30 — — WO disclosed
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 — — US disclosed
EP-1745024-B1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NOVARTIS INT PHARM LTD (BM) 2012-04-25 — — EP disclosed
EP-1565452-B1 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NOVARTIS INT PHARM LTD (BM) 2012-04-04 — — EP disclosed
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 — — US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 — — US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 — — US disclosed
US-7915288-B2 1-aryl-4-substituted isoquinolines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-29 — — US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 — — US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 — — US disclosed
EP-1745024-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2007-01-24 — — EP disclosed
EP-1745039-A2 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES Neurogen Corporation (US) 2007-01-24 — — EP disclosed
EP-1745033-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2007-01-24 — — EP disclosed
WO-2006004589-A2 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES NEUROGEN CORPORATION (US) 2006-01-12 — — WO disclosed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 — — US disclosed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 — — WO disclosed
WO-2005110991-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2005-11-24 — — WO disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 — — EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 — — US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 — — 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 (5 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 PDPK1 2914/4885ROCK1 2465/4885KDR 327/4885
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C3AR1, C5AR1 PDPK1 2956/4885ROCK1 3863/4885KDR 192/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 PDPK1 2854/4885ROCK1 3713/4885KDR 184/4885
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines MMP25, MMP9, MMP3 PDPK1 2877/4885ROCK1 2710/4885KDR 875/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 PDPK1 2612/4885ROCK1 3023/4885KDR 399/4885

“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.

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