SCHEMBL12320573

SCHEMBL12320573

COc1cc(Nc2nc(Nc3cccc(OCCN4CCCC4)c3)ncc2C#N)c(C)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.52
SYK P43405 3/20 0.48
YES1 P07947 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
JAK2 O60674 1/20 0.46
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
JAK3 P52333 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
INSR P06213 1/20 0.45
IGF1R P08069 1/20 0.45
ALK Q9UM73 1/20 0.45
CDK1 P06493 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL30367804 0.94 SRC (0.52) SRCSYKYES1ABL1BCR
SCHEMBL265051 0.94 SRC (0.52) SRCSYKYES1ABL1BCR
SCHEMBL12320602 0.92 SRC (0.54) SRCABL1BCRJAK2BRD4
SCHEMBL12320601 0.91 BRD4 (0.54) SRCSYKYES1ABL1BCR
SCHEMBL263862 0.86 BRD4 (0.56) SRCSYKYES1ABL1BCR
SCHEMBL264711 0.85 SRC (0.54) SRCSYKYES1ABL1BCR
SCHEMBL269990 0.80 SYK (0.48) SRCSYKYES1ABL1BCR
SCHEMBL271265 0.78 BRD4 (0.59) SRCSYKYES1ABL1BCR
SCHEMBL263867 0.77 PRKCQ (0.51) SRCSYKYES1JAK2BRD4
SCHEMBL12278053 0.74 SYK (0.52) SRCSYKYES1ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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 (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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 SRC 80/4885SYK 281/4885YES1 386/4885

“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.