SCHEMBL3129999

SCHEMBL3129999

CCN1C(=O)N(c2cc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cc(OC)c2)Cc2cnc(NC)nc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 5/20 0.56
MAP4K2 Q12851 5/20 0.56
ABL1 P00519 1/20 0.48
RAF1 P04049 10/20 0.46
BRAF P15056 10/20 0.46
FGFR4 P22455 2/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
CSF1R P07333 1/20 0.45
DAPK1 P53355 1/20 0.45
MAPK14 Q16539 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
SCHEMBL3129940 0.93 TNK2 (0.51) TNK2MAP4K2ABL1RAF1BRAF
SCHEMBL3137374 0.91 TNK2 (0.66) TNK2MAP4K2ABL1RAF1BRAF
SCHEMBL3139460 0.88 CSF1R (0.61) TNK2MAP4K2ABL1RAF1BRAF
SCHEMBL3126954 0.86 LCK (0.50) TNK2MAP4K2ABL1RAF1BRAF
SCHEMBL3139299 0.85 MAP4K2 (0.51) TNK2MAP4K2BRAFFGFR4FGFR1
SCHEMBL3128860 0.83 LCK (0.57) TNK2MAP4K2ABL1RAF1BRAF
SCHEMBL3136129 0.82 CSF1R (0.60) TNK2MAP4K2ABL1RAF1BRAF
SCHEMBL3136816 0.82 TNK2 (0.53) TNK2MAP4K2ABL1RAF1BRAF
SCHEMBL3139826 0.81 TNK2 (0.57) TNK2MAP4K2ABL1RAF1BRAF
SCHEMBL3129993 0.81 TNK2 (0.54) TNK2MAP4K2FGFR4FGFR1FGFR2

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 12 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-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 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.