SCHEMBL1206377

SCHEMBL1206377

CCOC(=O)n1nc2c(c1NC(=O)C1CN(C)CCO1)CN(C(=O)Cl)C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.33
ABL1 P00519 1/20 0.32
HPGD P15428 2/20 0.32
CD274 Q9NZQ7 1/20 0.31
MAP4K4 O95819 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1206301 0.89 HPGD (0.34) MAP3K5ABL1HPGDCD274MAP4K4
SCHEMBL1205748 0.88 HPGD (0.42) HPGDNPC1TP53CYP1A2CYP2C9
SCHEMBL1204599 0.87 HPGD (0.40) HPGDNPC1TP53CYP1A2CYP2C9
SCHEMBL12879116 0.84 MAP3K5 (0.35) MAP3K5ABL1HPGDCD274MAP4K4
SCHEMBL1205814 0.81 GAA (0.37) ABL1HPGDNPC1TP53CYP1A2
SCHEMBL1204680 0.80 SMN1; SMN2 (0.36) HPGDNPC1CYP1A2CYP2C9CYP2C19
SCHEMBL1204649 0.80 ALDH1A1 (0.36) HPGDNPC1CYP1A2CYP2C9CYP2C19
SCHEMBL12879130 0.79 MEN1 (0.34) CYP2C19
SCHEMBL1206336 0.79 SMN1; SMN2 (0.38) HPGDNPC1CYP1A2CYP2C9CYP2C19
SCHEMBL19542098 0.78 ALOX15 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 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 (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-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 MAP3K5 18/4885ABL1 249/4885HPGD 2200/4885

“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.