SCHEMBL6412628

SCHEMBL6412628

CN(C)C(=O)CCc1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.35
CDK4 P11802 1/20 0.33
TSHR P16473 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.32
AURKA O14965 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
EGFR P00533 1/20 0.30
SRC P12931 1/20 0.30
AURKB Q96GD4 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
SCHEMBL6692185 0.97 CDK4 (0.33) PTK2CDK4TSHRNPC1LMNA
SCHEMBL6407392 0.87 ALDH1A1 (0.41) PTK2CDK4TSHRNPC1LMNA
SCHEMBL3797505 0.83 GPR17 (0.40) PTK2TSHRNPC1LMNARAB9A
SCHEMBL7989412 0.82 MPO (0.39) PTK2TSHRNPC1LMNARAB9A
SCHEMBL3802492 0.82 GAA (0.46) PTK2TSHRNPC1LMNARAB9A
SCHEMBL6695442 0.80 GPR17 (0.40) PTK2TSHRNPC1LMNARAB9A
SCHEMBL5410752 0.79 ALPL (0.36) CDK4TSHRAURKAALDH1A1
SCHEMBL5413673 0.77 KMT2A (0.50) NPC1LMNASMN1; SMN2GAAAURKA
SCHEMBL5410145 0.76 GLA (0.42) LMNASMN1; SMN2GAAHTTALDH1A1
SCHEMBL24611538 0.76 CYP1A2 (0.46) TSHRLMNARAB9AALDH1A1MAPT

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 9 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-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 (3 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-20040266855-A1 3-(4,5,6,7-tetrahydroindol-2-ylmethylidiene)-2-indolinone derivatives as kinase inhibitors SRC, LCK, MAP3K20 PTK2 36/4885CDK4 303/4885TSHR 3976/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 PTK2 261/4885CDK4 368/4885TSHR 3160/4885
US-20030119819-A1 3-(4,5,6,7-Tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors SRC, LCK, MAP3K20 PTK2 51/4885CDK4 260/4885TSHR 3870/4885

“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.