SCHEMBL3592374

SCHEMBL3592374

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 1/20 0.55
NR2E1 Q9Y466 5/20 0.49
RAF1 P04049 2/20 0.48
KDR P35968 2/20 0.48
LCK P06239 2/20 0.48
LYN P07948 2/20 0.48
HCK P08631 2/20 0.48
SRC P12931 2/20 0.48
INSR P06213 1/20 0.48
ABL1 P00519 7/20 0.47
BCR P11274 4/20 0.47
CSF1R P07333 2/20 0.47
EPHB2 P29323 2/20 0.47
LDLR P01130 3/20 0.46
KIT P10721 3/20 0.46
PCSK9 Q8NBP7 3/20 0.46
PDGFRB P09619 2/20 0.46
ADORA3 P0DMS8 2/20 0.45
NR1I2 O75469 1/20 0.45
PTGS1 P23219 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
SCHEMBL3580903 0.91 MAP4K2 (0.65) MAP4K2NR2E1RAF1KDRLCK
SCHEMBL3582693 0.91 CSF1R (0.58) MAP4K2NR2E1RAF1KDRLCK
SCHEMBL3587207 0.85 KDR (0.56) RAF1KDRLCKLYNHCK
SCHEMBL3587814 0.85 CSF1R (0.46) MAP4K2KDRLCKLYNHCK
SCHEMBL3582715 0.85 BRAF (0.48) MAP4K2KDRLCKLYNHCK
SCHEMBL3592320 0.84 KDR (0.49) MAP4K2RAF1KDRLCKLYN
SCHEMBL3588170 0.83 KDR (0.42) RAF1KDRLCKLYNHCK
SCHEMBL9970921 0.83 BRAF (0.51) MAP4K2RAF1KDRLCKLYN
SCHEMBL14218834 0.83 MAP4K2 (0.56) MAP4K2NR2E1RAF1KDRLCK
SCHEMBL3591990 0.82 KDR (0.54) RAF1KDRBRAFMAPK14TNNI3K

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 10 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

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 50/4885NR2E1 1558/4885RAF1 10/4885

“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.