SCHEMBL10230294

SCHEMBL10230294

Cc1c(NC[C@H]2C[C@H](c3ccccc3)C2)ncnc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
BTK Q06187 7/20 0.39
RPS6KB1 P23443 2/20 0.35
AURKA O14965 1/20 0.34
FFAR1 O14842 1/20 0.34
KDM1A O60341 1/20 0.34
HCAR2 Q8TDS4 2/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1G2 P78368 1/20 0.33
KMO O15229 1/20 0.33
CNR2 P34972 1/20 0.33
FFAR2 O15552 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 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
SCHEMBL16063042 1.00 USP1 (0.40) USP1WDR48BTKRPS6KB1AURKA
SCHEMBL16368653 1.00 USP1 (0.40) USP1WDR48BTKRPS6KB1AURKA
SCHEMBL10229702 0.90 ASPH (0.38) BTKASPHKDM8
SCHEMBL15006986 0.90 ASPH (0.38) BTKASPHKDM8
SCHEMBL15006989 0.90 ASPH (0.38) BTKASPHKDM8
SCHEMBL16368648 0.88 POLB (0.40) USP1WDR48BTKCYP1A2
SCHEMBL10230261 0.88 POLB (0.40) USP1WDR48BTKCYP1A2
SCHEMBL16063043 0.88 POLB (0.40) USP1WDR48BTKCYP1A2
SCHEMBL13346760 0.83 USP1 (0.38) USP1WDR48KDM1AHCAR2ASPH
SCHEMBL10232216 0.83 USP1 (0.38) USP1WDR48KDM1AHCAR2ASPH

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-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US disclosed
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 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 (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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 USP1 4185/4885WDR48 1312/4885BTK 1685/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 USP1 4309/4885WDR48 2898/4885BTK 3061/4885

“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.