SCHEMBL398290

SCHEMBL398290

CC(Oc1nncc2cc(Cl)ccc12)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.48
KIT P10721 3/20 0.48
KDR P35968 3/20 0.48
MAPK9 P45984 3/20 0.48
LCK P06239 2/20 0.48
LYN P07948 1/20 0.48
MAPK10 P53779 1/20 0.48
FLT1 P17948 1/20 0.38
EGFR P00533 1/20 0.37
SOS1 Q07889 3/20 0.34
DHODH Q02127 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
C1S P09871 1/20 0.33
RORC P51449 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.31
SLC6A9 P48067 1/20 0.31

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
SCHEMBL10203408 0.91 MAPK14 (0.41) MAPK14KITKDRMAPK9LCK
SCHEMBL2786901 0.84 MAPK14 (0.48) MAPK14KITKDRMAPK9LCK
SCHEMBL396047 0.84 MAPK14 (0.48) MAPK14KITKDRMAPK9LCK
SCHEMBL602310 0.78 MAPK14 (0.46) MAPK14KITKDRMAPK9LCK
SCHEMBL398273 0.74 MAPK14 (0.63) MAPK14KITKDRMAPK9LCK
SCHEMBL1406155 0.74 MAPK14 (0.63) MAPK14KITKDRMAPK9LCK
SCHEMBL397516 0.74 MAPK14 (0.63) MAPK14KITKDRMAPK9LCK
SCHEMBL394144 0.74 MAPK14 (0.63) MAPK14KITKDRMAPK9LCK
SCHEMBL394143 0.74 MAPK14 (0.63) MAPK14KITKDRMAPK9LCK
SCHEMBL600917 0.74 MAPK14 (0.43) MAPK14KITKDRMAPK9LCK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US disclosed
EP-2077998-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2011-03-09 EP disclosed
EP-2077998-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-07-15 EP disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030466-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-03-13 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 (1 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-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 MAPK14 293/4885KIT 1977/4885KDR 683/4885

“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.