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SCHEMBL12879080

SCHEMBL12879080

CCOC(=O)n1nc2c(c1NC(=O)C1CCC1)CN(C(=O)OC(C)(C)C)C2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.37
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CCNA2 P20248 3/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ CCNA1 P78396 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ ELANE P08246 2/20 0.33
▸ GAA P10253 2/20 0.33

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
SCHEMBL12879077 0.98 C5AR1 (0.37) C5AR1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL1206356 0.97 SMN1; SMN2 (0.37) C5AR1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL12879076 0.96 C5AR1 (0.38) C5AR1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL1204649 0.88 ALDH1A1 (0.36) NPC1RAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL1205639 0.88 ALDH1A1 (0.45) NPC1RAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL1205949 0.88 ALDH1A1 (0.45) NPC1RAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL1206376 0.87 ALDH1A1 (0.42) C5AR1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL1204692 0.87 C5AR1 (0.39) C5AR1ALDH1A1MEN1KMT2AGAA
SCHEMBL1204680 0.86 SMN1; SMN2 (0.36) NPC1RAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL1205772 0.86 C5AR1 (0.39) C5AR1CYP3A4CYP2C19CDK2SMN1; SMN2

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-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
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 — — WO 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 C5AR1 3945/4885NPC1 4116/4885RAB9A 1222/4885

“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.