SCHEMBL2500952

SCHEMBL2500952

Cc1ccc(CC(N)=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA2 P00918 1/20 0.48
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL30452033 1.00 TSHR (0.49) TSHRSMN1; SMN2CA2GABRPGABRD
Hydrochloric Acid SCHEMBL17873669 0.98 TSHR (0.47) TSHRSMN1; SMN2CA2GABRPGABRD
SCHEMBL575044 0.82 GABRP (0.61) TSHRSMN1; SMN2CA2GABRPGABRD
SCHEMBL10123136 0.82 TSHR (0.50) TSHRSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL5709790 0.81 TSHR (0.54) TSHRSMN1; SMN2ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7020108 0.81 GABRP (0.59) TSHRSMN1; SMN2CA2GABRPGABRD
SCHEMBL2827343 0.80 CYP1A2 (0.58) TSHRSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL2091577 0.80 TSHR (0.53) TSHRSMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL15120986 0.79 TSHR (0.47) TSHRSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL18291273 0.78 GABRP (0.72) SMN1; SMN2CA2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP claimed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO claimed
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 US disclosed
US-20210145002-A1 PYRIDINE AND PYRAZINE COMPOUNDS BASF SE (DE) 2021-05-20 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
US-8703952-B2 Synthesis of 9-(arylalkyl)-1,2,3,4-tetrahydro-γ-carboline and analogues and intermediates WISTA LABORATORIES LTD. (SG) 2014-04-22 US disclosed
US-8703952-B2 Synthesis of 9-(arylalkyl)-1,2,3,4-tetrahydro-γ-carboline and analogues and intermediates WISTA LABORATORIES LTD. (SG) 2014-04-22 US disclosed
US-8703952-B2 Synthesis of 9-(arylalkyl)-1,2,3,4-tetrahydro-γ-carboline and analogues and intermediates WISTA LABORATORIES LTD. (SG) 2014-04-22 US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US disclosed
US-20110245504-A1 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-y-CARBOLINE AND ANALOGUES AND INTERMEDIATES WISTA LABORATORIES LTD. 2011-10-06 US disclosed
US-20110245504-A1 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-y-CARBOLINE AND ANALOGUES AND INTERMEDIATES WISTA LABORATORIES LTD. 2011-10-06 US disclosed
US-20110245504-A1 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-y-CARBOLINE AND ANALOGUES AND INTERMEDIATES WISTA LABORATORIES LTD. 2011-10-06 US disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2010067085-A2 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-Υ-CARBOLINE AND ANALOGUES AND INTERMEDIATES WISTA LABORATORIES LTD. (SG) 2010-06-17 WO disclosed
WO-2010067085-A2 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-Υ-CARBOLINE AND ANALOGUES AND INTERMEDIATES WISTA LABORATORIES LTD. (SG) 2010-06-17 WO disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 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 (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-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 TSHR 3652/4885SMN1; SMN2 3876/4885CA2 1798/4885
US-20210145002-A1 PYRIDINE AND PYRAZINE COMPOUNDS NDUFS5, IL5, NDUFS4 TSHR 3652/4885SMN1; SMN2 3876/4885CA2 1798/4885
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK TSHR 637/4885SMN1; SMN2 1261/4885CA2 3769/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK TSHR 637/4885SMN1; SMN2 1261/4885CA2 3769/4885
US-20110245504-A1 SYNTHESIS OF 9-(ARYLALKYL)-1,2,3,4-TETRAHYDRO-y-CARBOLINE AND ANALOGUES AND INTERMEDIATES DDT, CYP2J2, CYP1B1 TSHR 3767/4885SMN1; SMN2 4299/4885CA2 2259/4885

“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.