SCHEMBL3136129

SCHEMBL3136129

COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(N2Cc3cnc(Nc4ccc(N5CCOCC5)cc4)nc3N(CCN3CCOCC3)C2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.60
DAPK1 P53355 2/20 0.60
TNK2 Q07912 8/20 0.58
MAP4K2 Q12851 8/20 0.58
FGFR1 P11362 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR4 P22455 1/20 0.53
FGFR3 P22607 1/20 0.53
ABL1 P00519 3/20 0.52
LCK P06239 3/20 0.52
MAPK14 Q16539 3/20 0.52
SRC P12931 3/20 0.52
KDR P35968 2/20 0.52
FYN P06241 1/20 0.52
LYN P07948 1/20 0.52
MAPK9 P45984 1/20 0.52
TEK Q02763 1/20 0.52
BCR P11274 1/20 0.51
BMX P51813 1/20 0.51
RIPK1 Q13546 1/20 0.51

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
SCHEMBL3139491 0.95 TNK2 (0.56) CSF1RDAPK1TNK2MAP4K2FGFR1
SCHEMBL3139460 0.94 CSF1R (0.61) CSF1RDAPK1TNK2MAP4K2FGFR1
SCHEMBL14213495 0.92 FGFR4 (0.55) CSF1RDAPK1TNK2MAP4K2FGFR1
SCHEMBL3126954 0.92 LCK (0.50) CSF1RDAPK1TNK2MAP4K2FGFR1
SCHEMBL3126128 0.91 LCK (0.51) CSF1RDAPK1TNK2MAP4K2FGFR1
SCHEMBL3140068 0.90 TNK2 (0.49) CSF1RDAPK1TNK2MAP4K2FGFR1
SCHEMBL3144335 0.90 TNK2 (0.57) CSF1RDAPK1TNK2MAP4K2FGFR1
SCHEMBL3134068 0.89 LCK (0.48) CSF1RDAPK1TNK2MAP4K2FGFR1
SCHEMBL3128860 0.86 LCK (0.57) CSF1RDAPK1TNK2MAP4K2FGFR1
SCHEMBL3135919 0.83 TNK2 (0.65) TNK2MAP4K2FGFR1FGFR3ABL1

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-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US claimed
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-10-06 US claimed
US-7642255-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-01-05 US disclosed
US-7642255-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-01-05 US disclosed
US-7642255-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-01-05 US disclosed
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-11 US disclosed
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-11 US disclosed
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-11 US disclosed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US disclosed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US disclosed
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-10-06 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 (2 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-20050222177-A1 Compounds and compositions as protein kinase inhibitors BMX, FES, FRK CSF1R 453/4885DAPK1 167/4885TNK2 203/4885
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BMX, FES, FRK CSF1R 453/4885DAPK1 167/4885TNK2 203/4885

“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.