SCHEMBL6399080

SCHEMBL6399080

CN(C)CC(C)(C)CNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.40
MAP2K2 P36507 16/20 0.40
PIM1 P11309 1/20 0.35
CAMK2B Q13554 1/20 0.35
BRAF P15056 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K5 Q13163 1/20 0.33
IDO1 P14902 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL6206916 0.89 MAP2K1 (0.44) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6188396 0.85 MAP2K1 (0.43) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6399775 0.84 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6207475 0.84 MAP2K1 (0.41) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6187892 0.82 MAP2K1 (0.45) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL21067809 0.82 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6398440 0.81 MAP2K1 (0.44) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6398520 0.81 PIM1 (0.46) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6207588 0.81 MAP2K1 (0.41) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6399813 0.81 MAP2K1 (0.43) 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
US-6960692-B2 2-amino-2-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]propyl-1,3-propanediol; autoimmune diseases, rheumatoid arthritis, psoriasis, dermatitis, asthma, hay fever, anti-rejection of organ or bone marrow transplants; side effect reduction KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US claimed
US-20040254222-A1 Diaryl sulfide derivative, addition salt thereof, and immunosuppressant PRIOTHERA LIMITED (IE) 2004-12-16 US claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 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 (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-20040254222-A1 Diaryl sulfide derivative, addition salt thereof, and immunosuppressant TST, IL2, CBS MAP2K1 3167/4885MAP2K2 3228/4885PIM1 738/4885
US-20050004186-A1 MEK inhibiting compounds MAPK1, MAP3K1, MAPK3 MAP2K1 46/4885MAP2K2 40/4885PIM1 74/4885

“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.