SCHEMBL1329356

SCHEMBL1329356

FC(F)Oc1ccc(C#Cc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.38
AXL P30530 1/20 0.38
ACACB O00763 2/20 0.37
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
JAK1 P23458 1/20 0.36
TTBK1 Q5TCY1 2/20 0.36
TTBK2 Q6IQ55 2/20 0.36
NUDT1 P36639 3/20 0.35
ROCK1 Q13464 2/20 0.35
AURKB Q96GD4 2/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35

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
SCHEMBL858643 0.83 TTBK1 (0.46) PRKCIAXLJAK2JAK3TTBK1
SCHEMBL1329201 0.82 TTBK1 (0.49) PRKCIAXLACACBJAK2JAK3
SCHEMBL1328469 0.81 PRKCI (0.44) PRKCIAXLJAK2JAK3TTBK1
SCHEMBL1327734 0.78 PRKCI (0.44) PRKCIAXLJAK2JAK3JAK1
SCHEMBL1329976 0.78 PRKCI (0.44) PRKCIAXLJAK2JAK3TTBK1
SCHEMBL1328009 0.78 PRKCI (0.44) PRKCIAXLJAK2JAK3TTBK1
SCHEMBL12125812 0.78 PRKCI (0.44) PRKCIAXLJAK2JAK3JAK1
SCHEMBL857174 0.78 JAK2 (0.53) PRKCIAXLJAK2JAK3TTBK1
SCHEMBL1328069 0.78 PRKCI (0.46) PRKCIAXLJAK2JAK3NUDT1
SCHEMBL1329824 0.77 TTBK1 (0.41) PRKCIAXLJAK2JAK3JAK1

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
EP-2231282-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-09-29 EP claimed
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO claimed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 PRKCI 46/4885AXL 383/4885ACACB 2199/4885

“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.