SCHEMBL412990

SCHEMBL412990

Cc1cccc(-c2n[nH]nc2-c2ccc3ncn(C)c3c2)n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.60
TGFBR2 P37173 5/20 0.60
MAP3K20 Q9NYL2 5/20 0.60
DYRK1A Q13627 1/20 0.46
PRKCI P41743 1/20 0.40
MTOR P42345 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK14 Q16539 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
SCHEMBL5696812 0.83 TGFBR1 (0.55) TGFBR1TGFBR2MAP3K20DYRK1APRKCI
SCHEMBL5695774 0.77 TGFBR1 (0.55) TGFBR1TGFBR2MAP3K20DYRK1AMAPK14
SCHEMBL5695716 0.77 TGFBR1 (0.67) TGFBR1TGFBR2MAP3K20DYRK1AMAPK14
SCHEMBL373492 0.76 TGFBR1 (1.00) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL6792464 0.75 TGFBR1 (0.53) TGFBR1MTORMAPK14
SCHEMBL413574 0.75 PIK3CD (0.45) TGFBR1TGFBR2MAP3K20MTORCYP2D6
SCHEMBL5696719 0.71 TGFBR1 (0.45) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL21747000 0.70 DYRK1A (0.50) TGFBR1TGFBR2MAP3K20DYRK1APRKCI
SCHEMBL15833504 0.70 DYRK1A (0.65) TGFBR1TGFBR2MAP3K20DYRK1APRKCI
SCHEMBL17691917 0.69 DYRK1A (0.52) TGFBR1TGFBR2MAP3K20DYRK1APRKCI

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON RESEARCH, LTD. (US) 2012-05-10 US claimed
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2011-06-30 US claimed
EP-1959949-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS Alcon, Inc. (CH) 2008-08-27 EP claimed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US claimed
WO-2007070866-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 WO claimed
US-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-05 US claimed
EP-1335916-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-20 EP claimed
WO-2002040476-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 WO claimed
US-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON RESEARCH, LTD. (US) 2012-05-10 US disclosed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2011-06-30 US disclosed
EP-1959949-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS Alcon, Inc. (CH) 2008-08-27 EP disclosed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US disclosed
WO-2007070866-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 WO disclosed
US-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-05 US disclosed
EP-1335916-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-20 EP disclosed
WO-2002040476-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 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 (4 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-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885TGFBR2 18/4885MAP3K20 560/4885
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885TGFBR2 18/4885MAP3K20 560/4885
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885TGFBR2 18/4885MAP3K20 560/4885
US-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885TGFBR2 2/4885MAP3K20 3797/4885

“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.