SCHEMBL7912970

SCHEMBL7912970

Bc1cnc2[nH]cc(I)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
MAPK1 P28482 1/20 0.41
AXL P30530 1/20 0.38
CDK8 P49336 1/20 0.38
TNIK Q9UKE5 1/20 0.38
DYRK1A Q13627 5/20 0.36
CLK1 P49759 3/20 0.36
JAK2 O60674 2/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCG P05129 1/20 0.36
INSR P06213 1/20 0.36
CDK1 P06493 1/20 0.36
FES P07332 1/20 0.36
IGF1R P08069 1/20 0.36
ROS1 P08922 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL15241762 0.80 BRD4 (0.49) BRD4MAPK1AXLCDK8TNIK
SCHEMBL21902715 0.80 DYRK1A (0.38) AXLCDK8TNIKDYRK1ACLK1
SCHEMBL68662 0.77 DYRK1A (0.58) BRD4MAPK1AXLCDK8TNIK
SCHEMBL11968454 0.77 BRD4 (0.47) BRD4MAPK1AXLCDK8TNIK
SCHEMBL1880862 0.77 BRD4 (0.47) BRD4MAPK1AXLCDK8TNIK
SCHEMBL1045946 0.77 BRD4 (0.54) BRD4MAPK1AXLCDK8TNIK
SCHEMBL1053943 0.77 JAK2 (0.58) BRD4MAPK1AXLCDK8TNIK
SCHEMBL11927605 0.73
SCHEMBL13306679 0.73 BRD4 (0.43) BRD4MAPK1AXLCDK8TNIK
SCHEMBL20292802 0.73 AXL (0.45) BRD4MAPK1AXLCDK8TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242280-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 WO disclosed
EP-2264033-A1 3,5-DIPHENYL-SUBSTITUTED PYRROLO[2,3b]PYRIDINES USEFUL AS KINASE INHIBITORS SGX Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 WO disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 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-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 BRD4 359/4885MAPK1 280/4885AXL 711/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 BRD4 1339/4885MAPK1 2/4885AXL 3999/4885

“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.