SCHEMBL1206304

SCHEMBL1206304

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(F)cc1F)CNC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
PAK4 O96013 1/20 0.40
PRKCB P05771 8/20 0.38
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BACE1 P56817 1/20 0.37
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1204639 0.89 ALDH1A1 (0.47) ALDH1A1LMNATP53SMN1; SMN2NPC1
SCHEMBL4701327 0.88 MAPT (0.42) ALDH1A1LMNATP53SMN1; SMN2CYP2C19
SCHEMBL4522556 0.87 ALDH1A1 (0.41) ALDH1A1LMNAPAK4PRKCBTP53
Hydrochloric Acid SCHEMBL4425813 0.87 MAPT (0.42) ALDH1A1LMNATP53SMN1; SMN2CYP2C19
SCHEMBL1206401 0.86 MAPT (0.43) ALDH1A1LMNASMN1; SMN2RAB9ANPSR1
SCHEMBL4291472 0.86 FLT3 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL4291464 0.85 FLT3 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL3457426 0.85 MAPT (0.42) ALDH1A1LMNASMN1; SMN2RAB9ANPSR1
SCHEMBL1206305 0.84 PAK4 (0.41) ALDH1A1LMNAPAK4PRKCBTP53
SCHEMBL12879065 0.82 PAK4 (0.41) ALDH1A1LMNAPAK4PRKCBMAPT

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 5 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

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 ALDH1A1 2240/4885LMNA 3611/4885PAK4 1/4885

“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.