SCHEMBL1204599

SCHEMBL1204599

CCOC(=O)n1nc2c(c1NC(=O)C1CCCCO1)CN(C(=O)Cl)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PAK4 O96013 2/20 0.39
ALDH1A1 P00352 11/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
PRKCB P05771 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL1205748 0.97 HPGD (0.42) HPGDTP53NPC1RAB9ACYP1A2
SCHEMBL1206376 0.89 ALDH1A1 (0.42) HPGDTP53NPC1RAB9ACYP1A2
SCHEMBL1204680 0.88 SMN1; SMN2 (0.36) HPGDNPC1RAB9ACYP1A2CYP2C9
SCHEMBL1206336 0.87 SMN1; SMN2 (0.38) HPGDNPC1RAB9ACYP1A2CYP2C9
SCHEMBL1206377 0.87 MAP3K5 (0.33) HPGDTP53NPC1RAB9ACYP1A2
SCHEMBL1204649 0.86 ALDH1A1 (0.36) HPGDNPC1RAB9ACYP1A2CYP2C9
SCHEMBL1205639 0.86 ALDH1A1 (0.45) HPGDTP53NPC1RAB9ACYP1A2
SCHEMBL1205949 0.86 ALDH1A1 (0.45) HPGDTP53NPC1RAB9ACYP1A2
SCHEMBL1205814 0.86 GAA (0.37) HPGDTP53NPC1RAB9ACYP1A2
SCHEMBL12879114 0.83 HPGD (0.42) HPGDTP53NPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979356-B1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PROD INC (US) 2013-09-18 EP 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-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 HPGD 2200/4885TP53 1444/4885NPC1 4116/4885

“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.