SCHEMBL6407362

SCHEMBL6407362

CN(C)CCCc1c[nH]c2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.45
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
MPO P05164 1/20 0.41
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
SRC P12931 2/20 0.37
PARP1 P09874 1/20 0.36
METAP2 P50579 1/20 0.34

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
SCHEMBL6697504 0.98 SLC6A4 (0.44) SLC6A4HTR2AHTR2CHTR2BMPO
SCHEMBL1520702 0.80 GABRA1 (0.30)
SCHEMBL5405097 0.78 SLC6A4 (0.40) SLC6A4HTR2AHTR2CHTR2BMPO
SCHEMBL6681210 0.77 MPO (0.41) SLC6A4HTR2AHTR2CMPOHTR1A
SCHEMBL1369026 0.74 HTR1D (0.43) SLC6A4HTR2AHTR2CHTR2BMPO
SCHEMBL25031409 0.73 HTR2A (0.42) HTR2AHTR2CMPOHTR1AHTR1D
SCHEMBL5396500 0.73 MAPT (0.49) HTR2AHTR2CHTR2BMPOHTR1A
SCHEMBL6299779 0.69 NPSR1 (0.42) SRCPARP1
SCHEMBL6691776 0.68 NPSR1 (0.41) SRCPARP1
SCHEMBL7817311 0.64 ALOX15 (0.33) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-20040266855-A1 3-(4,5,6,7-tetrahydroindol-2-ylmethylidiene)-2-indolinone derivatives as kinase inhibitors SUGEN, INC. 2004-12-30 US disclosed
US-6777417-B2 ANTICANCER AGENTS SUGEN, INC. 2004-08-17 US disclosed
EP-1436259-A1 3-(4,5,6,7-TETRAHYDROINDOL-2-YLMETHYLIDIENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS Liang, Congxin (US) 2004-07-14 EP disclosed
US-20040067531-A1 Methods of modulating protein tyrosine kinase function with substituted indolinone compounds SUGEN, INC. 2004-04-08 US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-20030119819-A1 3-(4,5,6,7-Tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors SUGEN, INC. 2003-06-26 US disclosed
WO-2003022815-A1 3-(4,5,6,7-TETRAHYDROINDOL-2-YLMETHYLIDIENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2003-03-20 WO disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 US disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 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-20040067531-A1 Methods of modulating protein tyrosine kinase function with substituted indolinone compounds ABL1, LCK, PNCK SLC6A4 1563/4885HTR2A 745/4885HTR2C 743/4885
US-20040266855-A1 3-(4,5,6,7-tetrahydroindol-2-ylmethylidiene)-2-indolinone derivatives as kinase inhibitors SRC, LCK, MAP3K20 SLC6A4 2944/4885HTR2A 720/4885HTR2C 481/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 SLC6A4 2502/4885HTR2A 1076/4885HTR2C 844/4885
US-20030119819-A1 3-(4,5,6,7-Tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors SRC, LCK, MAP3K20 SLC6A4 2673/4885HTR2A 680/4885HTR2C 474/4885

“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.