SCHEMBL3588690

SCHEMBL3588690

CNc1cc(-n2nc(C)cc2Nc2cc(NC(=O)c3cc(OC4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
INSR P06213 6/20 0.61
LCK P06239 6/20 0.61
LYN P07948 6/20 0.61
SRC P12931 6/20 0.61
KDR P35968 6/20 0.61
HCK P08631 5/20 0.61
CSF1R P07333 4/20 0.60
BRAF P15056 8/20 0.51
RAF1 P04049 2/20 0.51
ARAF P10398 2/20 0.51
MAPK14 Q16539 1/20 0.43
MAP3K7 O43318 1/20 0.43
MAP4K2 Q12851 1/20 0.43

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
SCHEMBL3013708 0.89 LCK (0.64) INSRLCKLYNSRCKDR
SCHEMBL3589623 0.86 LYN (0.59) INSRLCKLYNSRCKDR
SCHEMBL3582783 0.85 LCK (0.46) INSRLCKLYNSRCKDR
SCHEMBL3591858 0.84 LCK (0.45) INSRLCKLYNSRCKDR
SCHEMBL3592421 0.84 CSF1R (0.58) INSRLCKLYNSRCKDR
SCHEMBL9970969 0.83 CSF1R (0.44) INSRLCKLYNSRCKDR
SCHEMBL3586434 0.83 BRAF (0.49) INSRLCKLYNSRCKDR
SCHEMBL3585112 0.83 BRAF (0.53) INSRLCKLYNSRCKDR
SCHEMBL3586553 0.83 BRAF (0.53) INSRLCKLYNSRCKDR
SCHEMBL3585110 0.83 BRAF (0.53) INSRLCKLYNSRCKDR

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 7 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
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
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 INSR 931/4885LCK 3/4885LYN 12/4885

“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.