SCHEMBL6137847

SCHEMBL6137847

Cc1cc(I)ccc1Nc1c(C(=O)NN)ccc(F)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.60
MAP2K2 P36507 13/20 0.60
PIM1 P11309 1/20 0.59
CAMK2B Q13554 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
BRAF P15056 1/20 0.55
MAPK1 P28482 1/20 0.55
MAP2K5 Q13163 1/20 0.55
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53

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
SCHEMBL5388138 0.89 MAP2K1 (0.60) MAP2K1MAP2K2PIM1CAMK2BMEN1
SCHEMBL6185039 0.89 MAP2K1 (0.76) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6230066 0.88 MAP2K1 (0.60) MAP2K1MAP2K2PIM1CAMK2BMEN1
SCHEMBL5677719 0.88 MAP2K1 (0.79) MAP2K1MAP2K2PIM1CAMK2BMEN1
SCHEMBL5398785 0.88 MAP2K1 (0.66) MAP2K1MAP2K2PIM1CAMK2BMEN1
SCHEMBL6036443 0.86 MAP2K1 (0.81) MAP2K1MAP2K2PIM1CAMK2BMEN1
SCHEMBL29425477 0.86 MAP2K1 (0.78) MAP2K1MAP2K2PIM1CAMK2BMEN1
SCHEMBL14594277 0.86 MAP2K1 (0.62) MAP2K1MAP2K2PIM1CAMK2BMEN1
SCHEMBL4851710 0.86 MAP2K1 (0.78) MAP2K1MAP2K2PIM1CAMK2BMEN1
SCHEMBL5390991 0.86 MAP2K1 (0.69) MAP2K1MAP2K2PIM1CAMK2BMEN1

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
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP disclosed
US-6545030-B1 Treating proliferative diseases, the sequelae of a stroke or heart failure, xenograft rejection, osteoarthritis, HIV, rheumatoid arthritis, cystic fibrosis, hepatomegaly, shock,cardiomegaly, Alzheimer's disease, diabetes WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 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-20030004193-A1 1-Heterocycle substituted diarylamines IDH3A, CCNA1, HCCS MAP2K1 3800/4885MAP2K2 3505/4885PIM1 3069/4885

“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.