SCHEMBL6375680

SCHEMBL6375680

Cn1nc(N)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.35
NR1H2 P55055 2/20 0.33
ADORA1 P30542 1/20 0.32
F12 P00748 1/20 0.31
CDK7 P50613 1/20 0.30
CCNH P51946 1/20 0.30
MNAT1 P51948 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL3457767 0.84 F12 (0.33) C5AR1NR1H2ADORA1F12
SCHEMBL596325 0.82 ADORA1 (0.38) C5AR1NR1H2ADORA1F12
SCHEMBL19200586 0.80 C5AR1 (0.41) C5AR1NR1H2ADORA1
SCHEMBL6377226 0.78 C5AR1 (0.36) C5AR1
SCHEMBL3327257 0.77 C5AR1 (0.33) C5AR1
SCHEMBL19201023 0.77 C5AR1 (0.32) C5AR1F12
SCHEMBL1368936 0.74 CDK2 (0.42) C5AR1NR1H2CDK7CCNHCCNA2
SCHEMBL18155648 0.73 C5AR1 (0.32) C5AR1
SCHEMBL16622327 0.73 C5AR1 (0.37) C5AR1NR1H2ADORA1
SCHEMBL25340650 0.71 F12 (0.40) NR1H2ADORA1F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999981-B2 3-amido-pyrrolo[3,4-C]pyrazole-5(1H, 4H,6H) carbaldehyde derivatives PFIZER INC. (US) 2015-04-07 US disclosed
US-20120108588-A1 NOVEL 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES PFIZER, INC. (US) 2012-05-03 US disclosed
US-8114871-B2 3-amido-pyrrolo[3,4-C]pyrazole-5(1H,4H,6H) carbaldehyde derivatives PFIZER INC. (US) 2012-02-14 US disclosed
US-20100249128-A1 NOVEL 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H,4H,6H) CARBALDEHYDE DERIVATIVES PFIZER INC. 2010-09-30 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 (2 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-20100249128-A1 NOVEL 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H,4H,6H) CARBALDEHYDE DERIVATIVES INSR, IAPP, PYCR1 C5AR1 438/4885NR1H2 389/4885ADORA1 221/4885
US-20120108588-A1 NOVEL 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES INSR, IAPP, PYCR1 C5AR1 438/4885NR1H2 389/4885ADORA1 221/4885

“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.