SCHEMBL1205765

SCHEMBL1205765

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.39
NTRK1 P04629 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
CDK2 P24941 3/20 0.38
PAK4 O96013 3/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CHRM1 P11229 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
ELANE P08246 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
SCHEMBL1206281 0.90 ALDH1A1 (0.41) ALDH1A1HPGDNTRK1SMN1; SMN2CDK2
SCHEMBL1205740 0.89 RAB9A (0.40) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL1204604 0.88 C5AR1 (0.41) ALDH1A1HPGDNTRK1SMN1; SMN2RAB9A
SCHEMBL14521440 0.87 ALDH1A1 (0.43) ALDH1A1HPGDNTRK1SMN1; SMN2RAB9A
SCHEMBL12879128 0.87 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL1205788 0.85 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL12879130 0.84 MEN1 (0.34) ALDH1A1GAA
SCHEMBL12879157 0.84 PTGDR2 (0.40) RAB9AADORA2AADORA1
SCHEMBL1204655 0.83 MEN1 (0.40) ALDH1A1SMN1; SMN2GAAHTT
SCHEMBL1204657 0.83 MEN1 (0.40) ALDH1A1SMN1; SMN2GAAHTT

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 9 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
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
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 ALDH1A1 2240/4885HPGD 2200/4885NTRK1 1712/4885

“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.