SCHEMBL3719643

SCHEMBL3719643

FC(F)(F)c1ccccc1C#Cc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.43
PRKACA P17612 3/20 0.43
JAK2 O60674 3/20 0.43
RET P07949 2/20 0.43
MAP4K4 O95819 2/20 0.43
JAK3 P52333 2/20 0.43
PRKCQ Q04759 2/20 0.43
ROCK1 Q13464 2/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
PAK4 O96013 1/20 0.43
CSF1R P07333 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL15941143 0.81 NUDT1 (0.47) ALKPRKACAJAK2RETMAP4K4
SCHEMBL1329701 0.80 DYRK1A (0.40) ALKPRKACAJAK2RETMAP4K4
SCHEMBL1330601 0.78 LRRK2 (0.50) ALKPRKACAJAK2RETMAP4K4
SCHEMBL12125679 0.78 IKBKB (0.46) ALKPRKACAJAK2RETMAP4K4
SCHEMBL1328408 0.78 ROCK1 (0.46) ALKPRKACAJAK2RETMAP4K4
SCHEMBL857174 0.78 JAK2 (0.53) ALKPRKACAJAK2RETMAP4K4
SCHEMBL1329824 0.78 TTBK1 (0.41) ALKPRKACAJAK2RETMAP4K4
SCHEMBL1328989 0.77 PRKCI (0.45) ALKPRKACAJAK2RETMAP4K4
SCHEMBL12125880 0.76 BRAF (0.44) RETROCK1KDRNUDT1FFAR1
SCHEMBL1329786 0.76 PRKCI (0.47) ALKPRKACAJAK2RETMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALK 539/4885PRKACA 16/4885JAK2 196/4885

“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.