SCHEMBL1204604

SCHEMBL1204604

CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1)CN(C(=O)OC(C)(C)C)C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.39
POLB P06746 1/20 0.39
CDK2 P24941 4/20 0.38
PAK4 O96013 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.35
NTRK1 P04629 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL1205098 0.91 CDK2 (0.42) C5AR1ALDH1A1CDK2PAK4KDM4E
SCHEMBL1205727 0.90 ADORA3 (0.39) C5AR1POLBCDK2HPGDSMN1; SMN2
SCHEMBL1205070 0.88 PAK4 (0.40) C5AR1PKMPAK4KDM4ESMN1; SMN2
SCHEMBL1205765 0.88 ALDH1A1 (0.41) ALDH1A1PKMPOLBCDK2PAK4
SCHEMBL1205670 0.88 ALDH1A1 (0.42) C5AR1ALDH1A1PKMPAK4KDM4E
SCHEMBL4285407 0.86 MEN1 (0.43) HPGDSMN1; SMN2RAB9ANPC1HTT
SCHEMBL12879093 0.86 TSHR (0.42) C5AR1ALDH1A1CDK2KDM4EHPGD
SCHEMBL1204692 0.85 C5AR1 (0.39) C5AR1ALDH1A1GAAADORA1LMNA
SCHEMBL12879094 0.85 ACKR3 (0.46) C5AR1RAB9AADORA2AADORA1
SCHEMBL4280181 0.85 ALDH1A1 (0.44) C5AR1ALDH1A1KDM4EHPGDSMN1; 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 8 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-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
EP-1979356-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 WO 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 3945/4885ALDH1A1 2240/4885PKM 425/4885

“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.