SCHEMBL18197658

SCHEMBL18197658

CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4n3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 13/20 0.73
TNIK Q9UKE5 8/20 0.73
IKBKB O14920 2/20 0.73
CHUK O15111 2/20 0.73
ABL1 P00519 2/20 0.73
INSR P06213 2/20 0.73
CDK2 P24941 2/20 0.73
FLT3 P36888 2/20 0.73
SGK1 O00141 1/20 0.73
AURKA O14965 1/20 0.73
PRKAB2 O43741 1/20 0.73
ROCK2 O75116 1/20 0.73
NTRK1 P04629 1/20 0.73
LCK P06239 1/20 0.73
CDK1 P06493 1/20 0.73
IGF1R P08069 1/20 0.73
MET P08581 1/20 0.73
CYP3A4 P08684 1/20 0.73
SRC P12931 1/20 0.73
FLT1 P17948 1/20 0.73

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
SCHEMBL18197675 0.84 MAP3K11 (0.62) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL30529951 0.84 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL30529949 0.84 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL30529948 0.84 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL722076 0.84 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL30529950 0.84 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL721023 0.82 MAP3K11 (0.93) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL28506193 0.79 TNIK (0.53) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL21592476 0.78 MAP4K1 (0.62) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL15758725 0.78 MAP3K11 (0.83) MAP3K11TNIKIKBKBCHUKABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US disclosed
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-11-03 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 (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-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885TNIK 178/4885IKBKB 476/4885

“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.