SCHEMBL271387

SCHEMBL271387

Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc(C(=O)N2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.59
MAP3K7 O43318 5/20 0.59
CDK9 P50750 3/20 0.55
CDK2 P24941 3/20 0.55
CCNT1 O60563 2/20 0.55
CCNE1 P24864 2/20 0.55
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
EGFR P00533 5/20 0.50
BTK Q06187 5/20 0.50
NTRK1 P04629 3/20 0.50
BRD4 O60885 6/20 0.49
JAK2 O60674 5/20 0.49
JAK3 P52333 5/20 0.49
JAK1 P23458 3/20 0.49
RET P07949 3/20 0.49
TYK2 P29597 3/20 0.49
FLT3 P36888 3/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL264774 0.93 IRAK4 (0.57) IRAK4MAP3K7CDK9CDK2CCNT1
SCHEMBL271149 0.83 EGFR (0.58) IRAK4CDK2EGFRBTKNTRK1
SCHEMBL271021 0.83 SYK (0.68) IRAK4CDK2EGFRBTKNTRK1
SCHEMBL17915908 0.82 IRAK4 (0.63) IRAK4MAP3K7CDK9CDK2CCNT1
SCHEMBL270995 0.79 BRD4 (0.61) IRAK4MAP3K7CDK9CDK2PDGFRB
SCHEMBL270521 0.79 IRAK4 (0.60) IRAK4MAP3K7CDK9CDK2CCNT1
SCHEMBL301773 0.79 MAP3K7 (0.60) IRAK4MAP3K7CDK9CDK2CCNT1
SCHEMBL266089 0.79 BRD4 (0.60) EGFRBTKBRD4JAK2HDAC1
SCHEMBL12279582 0.79 IRAK4 (0.58) IRAK4MAP3K7CDK9CDK2CCNT1
SCHEMBL271520 0.79 AURKA (0.51) CDK2EGFRBTKBRD4JAK2

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-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
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 (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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 IRAK4 157/4885MAP3K7 35/4885CDK9 51/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B IRAK4 368/4885MAP3K7 1110/4885CDK9 2589/4885

“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.