SCHEMBL19627458

SCHEMBL19627458

CCCN1CCCC(n2cc(-c3nc(N)ncc3F)c3cc(Br)ncc32)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 6/20 0.39
DRD3 P35462 3/20 0.32
DRD2 P14416 2/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
HTR6 P50406 3/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CCND1 P24385 1/20 0.31
CDK6 Q00534 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
TYK2 P29597 2/20 0.30
KDR P35968 2/20 0.30
JAK3 P52333 2/20 0.30
AURKB Q96GD4 2/20 0.30

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
SCHEMBL19627454 0.95 MAP3K14 (0.43) MAP3K14DRD2HTR6TYK2
SCHEMBL16205347 0.93 MAP3K14 (0.43) MAP3K14HTR6CCND1CDK6
SCHEMBL16205387 0.92 MAP3K14 (0.39) MAP3K14
SCHEMBL19627460 0.90 MAP3K14 (0.42) MAP3K14TYK2
SCHEMBL16205576 0.89 MAP3K14 (0.41) MAP3K14CDK6TYK2
SCHEMBL16205343 0.88 MAP3K14 (0.47) MAP3K14HTR6CCND1CDK6
SCHEMBL19627461 0.86 MAP3K14 (0.40) MAP3K14TYK2
SCHEMBL16205344 0.86 MAP3K14 (0.41) MAP3K14
SCHEMBL16205391 0.85 MAP3K14 (0.37) MAP3K14HTR6
SCHEMBL16205613 0.85 MAP3K14 (0.40) MAP3K14TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209662-B1 NEW COMPOUNDS AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
US-10005776-B2 Compounds as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-10005776-B2 Compounds as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 US disclosed
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 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-10005776-B2 Compounds as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 MAP3K14 1/4885DRD3 4414/4885DRD2 4681/4885
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS MAP3K14, IKBKG, MAP3K15 MAP3K14 1/4885DRD3 4405/4885DRD2 4663/4885

“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.