SCHEMBL6697599

SCHEMBL6697599

NCC(O)Cn1cnnn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HMOX1 P09601 1/20 0.32
ALPG P10696 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19374385 0.75
SCHEMBL25330814 0.75
SCHEMBL4478797 0.72 CYP19A1 (0.46)
SCHEMBL5828068 0.69 MEN1 (0.43) ALDH1A1MEN1KMT2AHMOX1ALPG
Bromide SCHEMBL2235882 0.69
SCHEMBL3773335 0.68 TSHR (0.51)
SCHEMBL21111119 0.65 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AHMOX1ALPG
SCHEMBL21111121 0.65 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AHMOX1ALPG
SCHEMBL21111097 0.64 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL27603968 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100338059-C 3-(4-amidopyrrol-2-2ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors SUGEN CO LTD (US) 2007-09-19 CN disclosed
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 US disclosed
CN-1529704-A 3-(4-amidopyrrol-2-2ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors �ո��� 2004-09-15 CN 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 (1 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-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 ALDH1A1 3282/4885MEN1 4639/4885KMT2A 1217/4885

“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.