SCHEMBL1328341

SCHEMBL1328341

O=C(NCc1ccccc1C#Cc1ccnc2[nH]ccc12)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.49
NEK1 Q96PY6 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
JAK2 O60674 3/20 0.40
JAK3 P52333 2/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
KMT2A Q03164 1/20 0.40
AURKB Q96GD4 3/20 0.39
EGFR P00533 1/20 0.39
MAP4K4 O95819 2/20 0.39
RET P07949 2/20 0.39
FLT1 P17948 2/20 0.39
KDR P35968 2/20 0.39
MAP4K2 Q12851 2/20 0.39
ROCK1 Q13464 2/20 0.39
NTRK3 Q16288 2/20 0.39
FLT3 P36888 2/20 0.39
CHEK2 O96017 1/20 0.39

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
SCHEMBL1327519 0.89 KMT2A (0.49) BTKNEK1ALDH1A1HPGDKMT2A
SCHEMBL1327744 0.89 NEK1 (0.42) BTKNEK1ALDH1A1KMT2AMAP4K4
SCHEMBL1327814 0.85 BTK (0.47) BTKJAK2JAK3JAK1TYK2
SCHEMBL27847620 0.84 NUDT1 (0.38) BTKNEK1HPGDJAK2JAK3
SCHEMBL1328119 0.83 NUDT1 (0.37) BTKNEK1JAK2JAK3JAK1
SCHEMBL1328116 0.82 NUDT1 (0.44) JAK2JAK3JAK1TYK2AURKB
SCHEMBL1327513 0.82 NUDT1 (0.37) BTKNEK1HPGDJAK2JAK3
SCHEMBL1328371 0.82 ANO1 (0.40) BTKALDH1A1JAK2JAK3AURKB
SCHEMBL1328693 0.81 JAK1 (0.41) BTKJAK2JAK3JAK1TYK2
SCHEMBL12127216 0.81 NEK1 (0.56) BTKNEK1ALDH1A1HPGDJAK2

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
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US claimed
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 CN claimed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 CN 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 BTK 178/4885NEK1 224/4885ALDH1A1 3339/4885

“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.