SCHEMBL3134910

SCHEMBL3134910

Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(N4Cc5cnc(Nc6cc(C(F)(F)F)ccc6F)nc5NC4=O)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 9/20 0.65
MAP4K2 Q12851 9/20 0.65
ABL1 P00519 6/20 0.65
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
EPHB4 P54760 2/20 0.50
BMX P51813 3/20 0.49
BCR P11274 3/20 0.49
RIPK3 Q9Y572 2/20 0.49
CSF1R P07333 2/20 0.49
RIPK1 Q13546 1/20 0.49
MAPK3 P27361 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
NR1I2 O75469 1/20 0.47
PTGS1 P23219 1/20 0.47
KDR P35968 1/20 0.47
CHRNA4 P43681 1/20 0.47
PDE3A Q14432 1/20 0.47
LDLR P01130 2/20 0.46

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
SCHEMBL3140926 0.90 TNK2 (0.63) TNK2MAP4K2ABL1KDM4EPOLB
SCHEMBL3140899 0.87 TNK2 (0.66) TNK2MAP4K2ABL1KDM4EPOLB
SCHEMBL3136048 0.86 TNK2 (0.65) TNK2MAP4K2ABL1KDM4EPOLB
SCHEMBL3132339 0.84 ABL1 (0.63) TNK2MAP4K2ABL1KDM4EPOLB
SCHEMBL3135794 0.79 ABL1 (1.00) TNK2MAP4K2ABL1EPHB4BMX
SCHEMBL3143788 0.78 TNK2 (0.78) TNK2MAP4K2ABL1EPHB4BMX
SCHEMBL31264532 0.77 ABL1 (0.66) TNK2MAP4K2ABL1KDM4EPOLB
SCHEMBL3140798 0.77 ABL1 (0.85) TNK2MAP4K2ABL1KDM4EPOLB
SCHEMBL13523320 0.77 TNK2 (0.53) TNK2MAP4K2ABL1EPHB4BMX
SCHEMBL31264642 0.77 ABL1 (0.66) TNK2MAP4K2ABL1KDM4EPOLB

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 15 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
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP 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-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
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP disclosed
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-10-06 US disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 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 (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 TNK2 203/4885MAP4K2 37/4885ABL1 66/4885
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BMX, FES, FRK TNK2 203/4885MAP4K2 37/4885ABL1 66/4885

“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.