SCHEMBL19474641

SCHEMBL19474641

COC(=O)c1ccc2c(c1)C(=O)NC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
NTRK2 Q16620 2/20 0.46
TYRO3 Q06418 1/20 0.46
FYN P06241 1/20 0.46
CASP3 P42574 1/20 0.46
JAK2 O60674 1/20 0.45
NTRK1 P04629 1/20 0.45
MET P08581 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
FLT3 P36888 1/20 0.45
GSK3B P49841 1/20 0.45
MAP2K1 Q02750 1/20 0.45
MST1R Q04912 1/20 0.45
NTRK3 Q16288 1/20 0.45
CAMK1D Q8IU85 1/20 0.45
CA12 O43570 2/20 0.45

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
SCHEMBL30450993 1.00 CLK4 (0.46) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL31098601 0.88 SMYD3 (0.53) CLK4CASP3NTRK1PRKACAFLT3
SCHEMBL4611577 0.88 SMYD3 (0.53) CLK4CASP3NTRK1PRKACAFLT3
SCHEMBL14395236 0.85 PARP10 (0.56) CASP3PRKACACA12CA9CA1
SCHEMBL20446302 0.82 NPC1 (0.53) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL5879567 0.80 TDP2 (0.61) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL27491542 0.79 PRF1 (0.55) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL28367558 0.78 CLK4 (0.46) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL29873105 0.78 CLK4 (0.49) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL24348699 0.77 CA12 (0.44) CLK4DYRK1BNTRK2TYRO3FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563245-B Substituted pyrrolidines and their use in medicine 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
CN-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 CN disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-10781205-B2 Conjugates comprising RIPK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-22 US disclosed
CN-111094292-A Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-05-01 CN disclosed
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20190119271-A1 CONJUGATES COMPRISING RIPK2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-25 US disclosed
US-20180362503-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-12-20 US disclosed
WO-2018218051-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-11-29 WO disclosed
WO-2017182418-A1 CONJUGATES COMPRISING RIPK2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 WO 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 (5 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 CLK4 1454/4885DYRK1B 1330/4885NTRK2 3519/4885
US-10781205-B2 Conjugates comprising RIPK2 inhibitors RIPK2, RIPK1, RIPK4 CLK4 1298/4885DYRK1B 1576/4885NTRK2 1332/4885
US-20180362503-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 CLK4 1866/4885DYRK1B 1700/4885NTRK2 581/4885
US-20190119271-A1 CONJUGATES COMPRISING RIPK2 INHIBITORS RIPK2, RIPK1, RIPK4 CLK4 1298/4885DYRK1B 1576/4885NTRK2 1332/4885
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 CLK4 1866/4885DYRK1B 1700/4885NTRK2 581/4885

“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.