SCHEMBL6314060

SCHEMBL6314060

O=C(Cl)c1ccc(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.78
MAP2K2 P36507 16/20 0.78
PIM1 P11309 1/20 0.58
CAMK2B Q13554 1/20 0.58
BRAF P15056 1/20 0.57
MAPK1 P28482 1/20 0.57
MAP2K5 Q13163 1/20 0.57
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL1488448 0.87 MAP2K1 (0.80) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL30505247 0.87 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL29413395 0.87 MAP2K1 (0.80) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL188505 0.87 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL29413559 0.87 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6185039 0.86 MAP2K1 (0.76) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL3762426 0.86 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL29425375 0.86 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6315390 0.86 MAP2K1 (0.78) MAP2K1MAP2K2PIM1CAMK2BBRAF
Hydrochloric Acid SCHEMBL30080174 0.86 MAP2K1 (0.97) MAP2K1MAP2K2PIM1CAMK2BBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232531-B Preparation method of cabitinib 安庆奇创药业有限公司 2020-06-16 CN claimed
CN-109232531-B Preparation method of cabitinib 安庆奇创药业有限公司 2020-06-16 CN disclosed
US-20050059710-A1 Diphenylamino ketone derivatives as MEK inhibitors PFIZER INC 2005-03-17 US disclosed
WO-2005007616-A1 DIPHENYLAMINO KETONE DERIVATIVES AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-27 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-20050059710-A1 Diphenylamino ketone derivatives as MEK inhibitors BRAF, RAF1, MAP3K1 MAP2K1 31/4885MAP2K2 26/4885PIM1 59/4885

“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.