SCHEMBL3580903

SCHEMBL3580903

CNc1cc(-n2nc(C)cc2Nc2cc(C(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 1/20 0.65
KDR P35968 2/20 0.59
LCK P06239 2/20 0.59
LYN P07948 2/20 0.59
HCK P08631 2/20 0.59
SRC P12931 2/20 0.59
INSR P06213 1/20 0.59
EPHB2 P29323 2/20 0.58
ABL1 P00519 9/20 0.58
LDLR P01130 3/20 0.57
KIT P10721 3/20 0.57
PCSK9 Q8NBP7 3/20 0.57
PDGFRB P09619 2/20 0.57
BCR P11274 6/20 0.56
ADORA3 P0DMS8 2/20 0.56
NR1I2 O75469 1/20 0.56
PTGS1 P23219 1/20 0.56
CHRNA4 P43681 1/20 0.56
PDE3A Q14432 1/20 0.56
BRAF P15056 4/20 0.56

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
SCHEMBL3582693 0.91 CSF1R (0.58) MAP4K2KDRLCKLYNHCK
SCHEMBL14218834 0.91 MAP4K2 (0.56) MAP4K2KDRLCKLYNHCK
SCHEMBL3592374 0.91 MAP4K2 (0.55) MAP4K2KDRLCKLYNHCK
SCHEMBL3594586 0.89 MAP4K2 (0.49) MAP4K2KDRLCKLYNHCK
SCHEMBL3589389 0.88 MAP4K2 (0.48) MAP4K2KDRLCKLYNHCK
SCHEMBL3597820 0.86 MAP4K2 (0.52) MAP4K2KDRLCKLYNHCK
SCHEMBL3580707 0.86 MAP3K7 (0.65) MAP4K2KDRLCKLYNHCK
SCHEMBL3581802 0.85 MAP4K2 (0.54) MAP4K2LYNABL1KITBRAF
SCHEMBL3597048 0.85 MAP4K2 (0.48) MAP4K2KDRLCKLYNHCK
SCHEMBL3594016 0.85 BRAF (0.51) MAP4K2KDRLCKLYNSRC

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 12 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-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
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
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 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 MAP4K2 50/4885KDR 13/4885LCK 3/4885

“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.