SCHEMBL378778

SCHEMBL378778

COC(Cn1ncc2cc(Oc3ccc(F)cc3CN)ccc21)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.49
HTR2C P28335 4/20 0.49
MAPK14 Q16539 2/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
FYN P06241 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
BCR P11274 1/20 0.40
FGFR1 P11362 1/20 0.40
BRAF P15056 1/20 0.40
EPHA1 P21709 1/20 0.40
EPHA2 P29317 1/20 0.40
ABL2 P42684 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
IRAK1 P51617 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL2448382 0.90 HTR2A (0.54) HTR2AHTR2CMAPK14MAP4K4ABL1
SCHEMBL9967319 0.84 MAP4K4 (0.45) HTR2AHTR2CMAPK14MAP4K4ABL1
SCHEMBL12216014 0.83 HTR2A (0.46) HTR2AHTR2CMAPK14MAP4K4ABL1
SCHEMBL378721 0.83 HTR2A (0.46) HTR2AHTR2CMAPK14MAP4K4ABL1
SCHEMBL378875 0.82 MAP4K4 (0.53) HTR2AHTR2CMAPK14MAP4K4ABL1
SCHEMBL12216027 0.82 MAP4K4 (0.46) HTR2AHTR2CMAPK14MAP4K4ABL1
SCHEMBL2446819 0.82 MAPK14 (0.45) HTR2AHTR2CMAPK14MAP4K4ABL1
SCHEMBL12328667 0.82 MAP4K4 (0.40) HTR2AHTR2CMAPK14MAP4K4ABL1
Hydrochloric Acid SCHEMBL3775833 0.81 MAP4K4 (0.52) HTR2AHTR2CMAPK14MAP4K4ABL1
Hydrochloric Acid SCHEMBL379388 0.81 MAP4K4 (0.45) HTR2AHTR2CMAPK14MAP4K4ABL1

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
EP-1981851-B1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2012-01-25 EP disclosed
US-8044083-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-25 US disclosed
US-8044083-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-25 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-8039639-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-18 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-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-05-26 US disclosed
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-05-26 US disclosed
US-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof ARRAY BIOPHARMA, INC. 2009-01-22 US disclosed
US-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof ARRAY BIOPHARMA, INC. 2009-01-22 US disclosed
US-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof ARRAY BIOPHARMA, INC. 2009-01-22 US disclosed
EP-1981851-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-10-22 EP disclosed
WO-2007089646-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-08-09 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-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof MAP3K1, MAP3K19, MAP3K20 HTR2A 4192/4885HTR2C 3416/4885MAPK14 40/4885
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF MAP3K19, MAP3K2, MAP3K20 HTR2A 4002/4885HTR2C 3150/4885MAPK14 38/4885

“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.