SCHEMBL5844183

SCHEMBL5844183

COc1ccc(N)cc1-c1ccc(SC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
CYP1A1 P04798 6/20 0.41
CYP1B1 Q16678 6/20 0.41
CYP1A2 P05177 5/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ABL1 P00519 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL3784958 0.86 NTRK1 (0.49) NTRK1KDM4EALDH1A1USP2MAPT
SCHEMBL5841896 0.81 TDP1 (0.54) NTRK1KDM4EALDH1A1USP2MAPT
SCHEMBL5843621 0.79 FYN (0.46) NTRK1KDM4EALDH1A1USP2MAPT
SCHEMBL2185228 0.79 AGPAT2 (0.49) NTRK1KDM4EALDH1A1USP2MAPT
SCHEMBL654302 0.79 PTGDR2 (0.57) NTRK1KDM4EALDH1A1USP2MAPT
SCHEMBL6572501 0.79 APP (0.37) ALDH1A1MAPTLMNATSHRHTT
SCHEMBL27185972 0.78 ALDH1A1 (0.55) KDM4EALDH1A1USP2MAPTGAA
Hydrochloric Acid SCHEMBL654301 0.77 PTGDR2 (0.55) NTRK1KDM4EALDH1A1USP2MAPT
SCHEMBL23525668 0.77 ERN1 (0.48) NTRK1KDM4EALDH1A1USP2MAPT
SCHEMBL3841305 0.77 CYP19A1 (0.47) NTRK1KDM4EALDH1A1USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2004-07-29 US claimed
EP-1294688-A2 INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2003-03-26 EP claimed
US-20020052369-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2002-05-02 US claimed
WO-2001094312-A2 INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-12-13 WO claimed
US-7071332-B2 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. (US) 2006-07-04 US disclosed
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2004-07-29 US disclosed
US-6706709-B2 TREATING, FOR EXAMPLE, PROLIFERATIVE DISORDERS INCLUDING CANCER SUGEN, INC. 2004-03-16 US disclosed
US-20020052369-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2002-05-02 US 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 (2 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-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 NTRK1 1206/4885KDM4E 948/4885ALDH1A1 2164/4885
US-20020052369-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 NTRK1 1206/4885KDM4E 948/4885ALDH1A1 2164/4885

“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.