SCHEMBL3580707

SCHEMBL3580707

CNc1cc(-n2nc(C)cc2Nc2cc(C(=O)Nc3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.65
MAP4K2 Q12851 2/20 0.65
ABL1 P00519 1/20 0.58
BRAF P15056 14/20 0.58
LYN P07948 2/20 0.57
CSF1R P07333 1/20 0.57
KIT P10721 1/20 0.57
HCK P08631 2/20 0.52
NR2C2 P49116 1/20 0.52
BTK Q06187 1/20 0.52
INSR P06213 1/20 0.49
LCK P06239 1/20 0.49
SRC P12931 1/20 0.49
KDR P35968 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
SCHEMBL3590987 0.94 MAP3K7 (0.64) MAP3K7MAP4K2ABL1BRAFLYN
SCHEMBL3581802 0.92 MAP4K2 (0.54) MAP3K7MAP4K2ABL1BRAFLYN
SCHEMBL3589623 0.92 LYN (0.59) MAP3K7MAP4K2ABL1BRAFLYN
SCHEMBL9967435 0.91 MAP3K7 (0.51) MAP3K7MAP4K2ABL1BRAFLYN
SCHEMBL3591321 0.90 MAP4K2 (0.53) MAP3K7MAP4K2ABL1BRAFLYN
SCHEMBL3597820 0.90 MAP4K2 (0.52) MAP3K7MAP4K2ABL1BRAFLYN
SCHEMBL3591181 0.90 MAP4K2 (0.52) MAP3K7MAP4K2ABL1BRAF
SCHEMBL3584641 0.90 MAP4K2 (0.52) MAP3K7MAP4K2ABL1BRAFLYN
SCHEMBL3590378 0.90 MAP4K2 (0.54) MAP3K7MAP4K2ABL1BRAFLYN
SCHEMBL3591556 0.89 MAP4K2 (0.53) MAP3K7MAP4K2ABL1BRAFLYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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 (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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK MAP3K7 37/4885MAP4K2 50/4885ABL1 20/4885

“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.