SCHEMBL2513360

SCHEMBL2513360

CC(C)(C)C(=O)Nc1ccncc1C=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CETP P11597 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
LMNA P02545 2/20 0.36
TOP2A P11388 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL1501756 0.88 TSHR (0.46) TSHRKDM4EL3MBTL1NPC1RAB9A
SCHEMBL29956744 0.82 TSHR (0.42) TSHRNPC1RAB9ACYP1A2CYP3A4
SCHEMBL1197794 0.81 CYP17A1 (0.47) RAB9A
SCHEMBL29957527 0.81 CYP17A1 (0.47) RAB9A
SCHEMBL15330236 0.80 TSHR (0.49) TSHRKDM4EL3MBTL1NPC1RAB9A
SCHEMBL13387995 0.80 KDM4C (0.39) KDM4EL3MBTL1NPC1RAB9ALMNA
SCHEMBL13475708 0.79 TSHR (0.49) TSHRKDM4EL3MBTL1NPC1RAB9A
SCHEMBL4153508 0.79 TSHR (0.49) TSHRKDM4EL3MBTL1NPC1RAB9A
SCHEMBL1190850 0.79 TSHR (0.49) TSHRKDM4EL3MBTL1NPC1RAB9A
SCHEMBL3899443 0.78 TSHR (0.48) TSHRKDM4EL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2736882-A1 SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES Grünenthal GmbH (DE) 2014-06-04 EP disclosed
US-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US disclosed
US-20130029961-A1 Substituted Heterocyclic Aza Compounds GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20130029961-A1 Substituted Heterocyclic Aza Compounds GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
WO-2013013817-A1 SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES Grünenthal GmbH (DE) 2013-01-31 WO disclosed
US-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I ABBOTT GMBH & CO. KG (DE) 2011-10-06 US disclosed
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US disclosed
EP-0480155-B1 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST ROUSSEL PHARMA (US) 1996-01-31 EP disclosed
EP-0480155-A2 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-04-15 EP disclosed
US-5095019-A 4-substituted dihydropyrido(4,3-D)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-03-10 US disclosed
US-5059602-A 4-substituted dihydropyrido(4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
EP-0435222-A2 Aminopyridinylmethanols and aminomethylpyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-07-03 EP 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TSHR 3945/4885KDM4E 1738/4885L3MBTL1 2447/4885
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS TSHR 181/4885KDM4E 2890/4885L3MBTL1 2352/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS TSHR 342/4885KDM4E 2928/4885L3MBTL1 3426/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 TSHR 855/4885KDM4E 1066/4885L3MBTL1 4449/4885
US-20130029961-A1 Substituted Heterocyclic Aza Compounds TRPV1, GPR17, TRPV2 TSHR 1127/4885KDM4E 1090/4885L3MBTL1 4406/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 TSHR 304/4885KDM4E 2891/4885L3MBTL1 3323/4885
US-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I GRM3, GRIN2C, GRIN2B TSHR 206/4885KDM4E 3833/4885L3MBTL1 2693/4885

“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.