SCHEMBL2248457

SCHEMBL2248457

Cc1cc2ccc[c]c2o1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAOB P27338 1/20 0.31
NQO1 P15559 1/20 0.30
DYRK1A Q13627 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15416348 0.73 ACHE (0.39) CA1CA9NPC1RAB9AMAOB
SCHEMBL3954485 0.72 LMNA (0.46) MAOACA9NPC1RAB9AMAOB
SCHEMBL21295851 0.71 PTGES (0.47) MAOACA1CA9NPC1RAB9A
SCHEMBL27476453 0.69 POLB (0.53) MAOACA1CA9MAOBNQO1
SCHEMBL27486518 0.69 HPGD (0.53) MAOACA1CA9MAOBALDH1A1
SCHEMBL3260173 0.69 MAPT (0.51)
SCHEMBL18662224 0.67
SCHEMBL21295642 0.67 CYP1A1 (0.41) MAOANPC1RAB9AMAOB
SCHEMBL159837 0.67 CA9 (0.47) MAOACA1CA9MAOBALDH1A1
SCHEMBL496066 0.67 CYP1A2 (0.31) NQO1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US claimed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN claimed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
WO-2012162461-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO claimed
US-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US claimed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US claimed
WO-2012068210-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO claimed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO claimed
US-20120129897-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US claimed
US-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US claimed
WO-2012068204-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO claimed
WO-2012068196-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO claimed
US-20120129843-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US claimed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US claimed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
WO-2024145659-A1 HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR INTRA-CELLULAR THERAPIES, INC. (US) 2024-07-04 WO disclosed
EP-1587782-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE Eli Lilly and Company (US) 2005-10-26 EP disclosed
WO-2004043904-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPHINEPHRINE REUPTAKE ELI LILLY AND COMPANY (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 (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-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP3, TIMP3, MMP9 MAOA 1049/4885CA1 977/4885CA9 1377/4885
US-20120129843-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, TIMP3 MAOA 1444/4885CA1 1495/4885CA9 1123/4885
US-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E MAOA 482/4885CA1 4261/4885CA9 4869/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 MAOA 1598/4885CA1 4739/4885CA9 4749/4885
US-20120129897-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP3, TIMP3, MMP9 MAOA 849/4885CA1 1065/4885CA9 1142/4885
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 MAOA 973/4885CA1 835/4885CA9 1641/4885
US-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP9, MMP1, MMP3 MAOA 1768/4885CA1 1280/4885CA9 964/4885

“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.