SCHEMBL16155461

SCHEMBL16155461

NCCONC(=O)c1cc(F)c(F)cc1Nc1ccc(I)cc1F

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.71
MAP2K2 P36507 3/20 0.60
PIM1 P11309 1/20 0.56
CAMK2B Q13554 1/20 0.56
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
HDAC5 Q9UQL6 2/20 0.53
CYP2C9 P11712 1/20 0.53
MAP2K5 Q13163 1/20 0.53
EIF2AK1 Q9BQI3 1/20 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
SCHEMBL4862221 0.92 MAP2K1 (0.73) MAP2K1MAP2K2CYP2C9MAP2K5EIF2AK1
SCHEMBL4851729 0.91 MAP2K1 (0.60) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL4863428 0.90 MAP2K1 (0.72) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4853157 0.88 MAP2K1 (0.60) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL7050589 0.88 MAP2K1 (0.69) MAP2K1MAP2K2CYP2C9MAP2K5EIF2AK1
SCHEMBL4863390 0.88 MAP2K1 (0.60) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL4857304 0.87 MAP2K1 (0.56) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL4860624 0.87 MAP2K1 (0.59) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL4852751 0.87 MAP2K1 (0.56) MAP2K1MAP2K2PIM1CAMK2BCYP2C9
SCHEMBL4859616 0.86 MAP2K1 (0.58) MAP2K1MAP2K2PIM1CAMK2BHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611258-B2 Dual MEK/PI3K inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-04 US disclosed
US-20160002212-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-01-07 US disclosed
WO-2014164942-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 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 (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-20160002212-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME MAP2K2, MAP2K1, MAP2K7 MAP2K1 2/4885MAP2K2 1/4885PIM1 220/4885

“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.