SCHEMBL2194465

SCHEMBL2194465

Cn1ncc2c(C(N)c3cccnc3)nc(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 8/20 0.46
PDE2A O00408 7/20 0.43
ALDH1A2 O94788 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALDH1A3 P47895 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL23579798 0.76 PDE2A (0.41) PDE2AALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL3859248 0.73 CDK2 (0.58)
SCHEMBL23579585 0.69 PDE2A (0.39) PDE2AKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2194466 0.68 PDE2A (0.71) BCDIN3DPDE2AALDH1A1KMT2ACYP1A2
SCHEMBL3852231 0.67 CYP19A1 (0.35) ALDH1A1KMT2A
SCHEMBL2494591 0.66 CFTR (0.58) ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL29685062 0.66 PDE2A (0.60) PDE2AALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL130521 0.66 PDE2A (0.60) PDE2AALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL2193810 0.66 CYP1A2 (0.79) BCDIN3DPDE2AKMT2ACYP1A2CYP3A4
SCHEMBL28855678 0.66 BCDIN3D (0.42) BCDIN3DALDH1A2ALDH1A1ALDH1A3

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-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 EP disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
EP-2252616-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-11-24 EP disclosed
WO-2009097446-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-08-06 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-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA BCDIN3D 1803/4885PDE2A 2052/4885ALDH1A2 2049/4885

“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.