SCHEMBL3592249

SCHEMBL3592249

Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1Nc1ccnn1-c1cc(N)ncn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
LCK P06239 13/20 0.46
KDR P35968 13/20 0.46
LYN P07948 11/20 0.46
INSR P06213 9/20 0.46
SRC P12931 9/20 0.46
HCK P08631 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
GAA P10253 1/20 0.40
BRAF P15056 3/20 0.40

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
SCHEMBL3588433 0.86 LCK (0.46) LCKKDRLYNINSRSRC
SCHEMBL3591946 0.81 LMNA (0.49) NPC1ALDH1A1RAB9ALCKKDR
SCHEMBL3587533 0.79 NPC1 (0.47) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL3589999 0.75 KDR (0.66) LCKKDRLYNINSRSRC
SCHEMBL9967409 0.75 LCK (0.64) LCKKDRLYNINSRSRC
SCHEMBL3591291 0.73 BRAF (0.45) LCKKDRLYNINSRSRC
SCHEMBL5908394 0.73 NPC1 (0.71) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL3587090 0.72 LMNA (0.49) NPC1ALDH1A1RAB9ALCKKDR
SCHEMBL3591361 0.71 LMNA (0.48) NPC1ALDH1A1RAB9ASMN1; SMN2BRAF
SCHEMBL27784507 0.70 NPC1 (0.47) MEN1KMT2AKDM4ENPC1ALDH1A1

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 11 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-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
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 MEN1 3985/4885KMT2A 1139/4885KDM4E 1894/4885

“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.