SCHEMBL18211756

SCHEMBL18211756

CN(C)c1ccc(C(O)c2c[nH]c3ncc(Cl)cc23)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 2/20 0.47
BRD4 O60885 1/20 0.43
JAK2 O60674 1/20 0.40
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
TDO2 P48775 1/20 0.38
BRAF P15056 3/20 0.34
CYP3A4 P08684 4/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2D6 P10635 1/20 0.32
LCK P06239 2/20 0.31
CSF1R P07333 2/20 0.31
PDGFRB P09619 2/20 0.31
KIT P10721 2/20 0.31
PDGFRA P16234 2/20 0.31
FLT1 P17948 2/20 0.31
KDR P35968 2/20 0.31
FLT3 P36888 2/20 0.31

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
SCHEMBL19287905 0.88 BRD4 (0.43) MAP3K11BRD4JAK2BRAFCYP3A4
SCHEMBL14194694 0.82 BRD4 (0.45) MAP3K11BRD4JAK2TDO2CYP3A4
SCHEMBL18211757 0.82 BRD4 (0.39) MAP3K11BRD4JAK2BRAFCYP2C19
SCHEMBL26876461 0.80 JAK2 (0.45) BRD4JAK2CYP3A4CYP2C19CLK1
SCHEMBL26696343 0.79 JAK2 (0.44) BRD4JAK2BRAFCYP3A4CYP2C19
SCHEMBL19366334 0.77 JAK2 (0.39) BRD4JAK2BRAFCYP3A4CYP2C19
SCHEMBL26696371 0.74 DYRK1A (0.45) BRD4JAK2CYP3A4
SCHEMBL12252458 0.74 CYP2C9 (0.49) MAP3K11BRD4JAK2PRKAG1PRKAA1
SCHEMBL19829825 0.74 BRD4 (0.40) BRD4JAK2CYP3A4CYP2C19CYP2D6
SCHEMBL3821880 0.73 CYP2C9 (0.42) BRD4PRKAG1PRKAA1PRKAB1CYP3A4

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-10040792-B2 Synthesis of a compound that modulates kinases PLEXXIKON INC. (US) 2018-08-07 US disclosed
US-20170334909-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES DAIICHI SANKYO, INC. 2017-11-23 US disclosed
US-9745298-B2 Synthesis of a compound that modulates kinases PLEXXIKON INC. (US) 2017-08-29 US disclosed
US-20160326169-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES DAIICHI SANKYO, INC. 2016-11-10 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 (3 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-10040792-B2 Synthesis of a compound that modulates kinases FLT3, KIT, MAP3K1 MAP3K11 9/4885BRD4 1088/4885JAK2 25/4885
US-20170334909-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES FLT3, KIT, MAP3K1 MAP3K11 9/4885BRD4 1088/4885JAK2 25/4885
US-20160326169-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES FLT3, KIT, MAP3K1 MAP3K11 9/4885BRD4 1088/4885JAK2 25/4885

“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.