SCHEMBL12277449

SCHEMBL12277449

Cc1cc(Nc2nc(Nc3nc(Nc4ccc(OCCN5CCCC5)cc4)ncc3C)ncc2C)cc(C(C)(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.64
▸ JAK3 P52333 7/20 0.64
▸ JAK2 O60674 6/20 0.64
▸ BRDT Q58F21 2/20 0.64
▸ BRD2 P25440 1/20 0.64
▸ BRD3 Q15059 1/20 0.64
▸ JAK1 P23458 6/20 0.63
▸ HDAC1 Q13547 3/20 0.63
▸ TYK2 P29597 3/20 0.63
▸ RET P07949 2/20 0.63
▸ FLT3 P36888 2/20 0.63
▸ HDAC8 Q9BY41 1/20 0.63
▸ HDAC6 Q9UBN7 1/20 0.63
▸ SRC P12931 5/20 0.62
▸ AXL P30530 3/20 0.62
▸ KDR P35968 3/20 0.62
▸ MERTK Q12866 2/20 0.62
▸ LCK P06239 2/20 0.62
▸ TEK Q02763 2/20 0.62
▸ BTK Q06187 2/20 0.62

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
SCHEMBL270087 0.90 BRD4 (0.73) BRD4JAK3JAK2BRDTBRD2
Hydrochloric Acid SCHEMBL263793 0.89 BRD4 (0.72) BRD4JAK3JAK2BRDTBRD2
SCHEMBL270718 0.89 BRD4 (0.75) BRD4JAK3JAK2BRDTBRD2
Hydrochloric Acid SCHEMBL264170 0.88 BRD4 (0.73) BRD4JAK3JAK2BRDTBRD2
SCHEMBL269991 0.86 JAK1 (0.75) BRD4JAK3JAK2BRDTBRD2
SCHEMBL18226520 0.85 BRD4 (0.80) BRD4JAK3JAK2BRDTBRD2
Hydrochloric Acid SCHEMBL265421 0.85 JAK1 (0.74) BRD4JAK3JAK2BRDTBRD2
SCHEMBL271058 0.84 BRD4 (0.74) BRD4JAK3JAK2BRDTBRD2
SCHEMBL270660 0.83 JAK3 (0.72) BRD4JAK3JAK2BRDTBRD2
SCHEMBL18225176 0.83 BRD4 (0.83) BRD4JAK3JAK2BRDTBRD2

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 2 patents. 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
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 BRD4 142/4885JAK3 3/4885JAK2 1/4885

“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.

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