SCHEMBL1329201

SCHEMBL1329201

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
ABL1 P00519 4/20 0.48
BCR P11274 3/20 0.48
AKT2 P31751 2/20 0.39
KIT P10721 1/20 0.39
PRKCI P41743 2/20 0.38
AXL P30530 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 3/20 0.36
ACACB O00763 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1330536 0.85 GRM5 (0.46) TTBK1TTBK2ABL1BCRAKT2
SCHEMBL1329824 0.83 TTBK1 (0.41) TTBK1TTBK2AKT2KITPRKCI
SCHEMBL858643 0.83 TTBK1 (0.46) TTBK1TTBK2PRKCIAXLJAK2
SCHEMBL1329356 0.82 PRKCI (0.38) TTBK1TTBK2ABL1BCRPRKCI
SCHEMBL1328469 0.81 PRKCI (0.44) TTBK1TTBK2PRKCIAXLJAK2
SCHEMBL1329701 0.80 DYRK1A (0.40) TTBK1TTBK2ABL1BCRAKT2
SCHEMBL1328009 0.78 PRKCI (0.44) TTBK1TTBK2PRKCIAXLJAK2
SCHEMBL1329976 0.78 PRKCI (0.44) TTBK1TTBK2AKT2PRKCIAXL
SCHEMBL12125812 0.78 PRKCI (0.44) AKT2PRKCIAXLJAK2JAK1
SCHEMBL1327734 0.78 PRKCI (0.44) TTBK1TTBK2PRKCIAXLJAK2

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 TTBK1 177/4885TTBK2 183/4885ABL1 49/4885

“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.