SCHEMBL9967319

SCHEMBL9967319

CCCn1ncc2cc(Oc3ccc(F)cc3CN)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
FYN P06241 1/20 0.45
LYN P07948 1/20 0.45
RET P07949 1/20 0.45
BCR P11274 1/20 0.45
FGFR1 P11362 1/20 0.45
BRAF P15056 1/20 0.45
EPHA1 P21709 1/20 0.45
EPHA2 P29317 1/20 0.45
ABL2 P42684 1/20 0.45
FRK P42685 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
IRAK1 P51617 1/20 0.45
MAPK10 P53779 1/20 0.45
EPHB3 P54753 1/20 0.45
EPHB4 P54760 1/20 0.45
CDK5 Q00535 1/20 0.45

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
SCHEMBL378875 0.89 MAP4K4 (0.53) MAP4K4ABL1NTRK1FYNLYN
SCHEMBL2446819 0.89 MAPK14 (0.45) MAP4K4ABL1NTRK1FYNLYN
Hydrochloric Acid SCHEMBL3775833 0.88 MAP4K4 (0.52) MAP4K4ABL1NTRK1FYNLYN
SCHEMBL12328667 0.86 MAP4K4 (0.40) MAP4K4ABL1NTRK1FYNLYN
SCHEMBL2448382 0.86 HTR2A (0.54) MAP4K4ABL1NTRK1FYNLYN
Hydrochloric Acid SCHEMBL2450168 0.85 MAP4K4 (0.40) MAP4K4ABL1NTRK1FYNLYN
SCHEMBL378778 0.84 HTR2A (0.49) MAP4K4ABL1NTRK1FYNLYN
SCHEMBL17407525 0.83 MAP4K4 (0.59) MAP4K4ABL1NTRK1FYNLYN
SCHEMBL12216027 0.83 MAP4K4 (0.46) MAP4K4ABL1NTRK1FYNLYN
SCHEMBL12298678 0.82 HDAC1 (0.45) MAP4K4ABL1NTRK1FYNLYN

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
WO-2014134313-A1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC. (US) 2014-09-04 WO disclosed
US-8202899-B2 Pyrazole urea derivatives used as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-06-19 US disclosed
US-8044083-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-25 US disclosed
US-8039639-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-18 US disclosed
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-05-26 US disclosed
US-20100331385-A1 PYRAZOLE UREA DERIVATIVES USED AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof ARRAY BIOPHARMA, INC. 2009-01-22 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 (3 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-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof MAP3K1, MAP3K19, MAP3K20 MAP4K4 31/4885ABL1 28/4885NTRK1 807/4885
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF MAP3K19, MAP3K2, MAP3K20 MAP4K4 27/4885ABL1 28/4885NTRK1 600/4885
US-20100331385-A1 PYRAZOLE UREA DERIVATIVES USED AS KINASE INHIBITORS MAP3K1, MAP3K19, MAP3K13 MAP4K4 47/4885ABL1 138/4885NTRK1 2725/4885

“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.