SCHEMBL1849403

SCHEMBL1849403

COc1ccc(F)cc1-c1cc(N)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
LMNA P02545 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CDK9 P50750 4/20 0.49
LRRK2 Q5S007 5/20 0.47
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CCNT1 O60563 1/20 0.42
TRPA1 O75762 1/20 0.41
APP P05067 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL2812677 0.88 ALDH1A1 (0.51) USP2ALDH1A1CYP1A2CYP2C19CLK4
SCHEMBL28235042 0.83 ALDH1A1 (0.46) USP2ALDH1A1CYP1A2CYP2C19CLK4
SCHEMBL30507282 0.83 CYP1A2 (0.58) USP2ALDH1A1CYP1A2CYP2C19CLK4
SCHEMBL1849244 0.83 CYP1A2 (0.58) USP2ALDH1A1CYP1A2CYP2C19CLK4
SCHEMBL15486382 0.82 CDK9 (0.49) USP2ALDH1A1CYP1A2CYP2C19CLK4
Hydrochloric Acid SCHEMBL2809031 0.81 CYP1A2 (0.57) USP2ALDH1A1CYP1A2CYP2C19CLK4
SCHEMBL15487615 0.81 CDK9 (0.47) USP2ALDH1A1CYP1A2CYP2C19CLK4
SCHEMBL15490012 0.80 CYP1A2 (0.65) USP2ALDH1A1CYP1A2CYP2C19CLK4
SCHEMBL15486262 0.76 CYP1A2 (0.57) USP2ALDH1A1CYP1A2CYP2C19CLK4
SCHEMBL1848229 0.76 CDK9 (0.67) USP2ALDH1A1CYP1A2CYP2C19CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US claimed
EP-2212297-B1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-05-25 EP claimed
US-20150038516-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-02-05 US disclosed
US-20150038516-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-02-05 US disclosed
US-20150038516-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-02-05 US disclosed
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US disclosed
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US disclosed
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US disclosed
EP-2212297-B1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-05-25 EP disclosed
US-20100249149-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249149-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249149-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2010-09-30 US disclosed
EP-2212297-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2010-08-04 EP disclosed
WO-2009047359-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2009-04-16 WO disclosed
WO-2009047359-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2009-04-16 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-20100249149-A1 Inhibitors of Protein Kinases CDK9, CDK19, CDK2 USP2 1812/4885ALDH1A1 4732/4885CYP1A2 4600/4885
US-20150038516-A1 Inhibitors of Protein Kinases CDK1, CDK2, CCNK USP2 2765/4885ALDH1A1 3147/4885CYP1A2 2664/4885

“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.