SCHEMBL19132012

SCHEMBL19132012

CC(C)c1nccc2nccn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.38
ROCK1 Q13464 2/20 0.38
CHEK1 O14757 1/20 0.38
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
PRKACA P17612 1/20 0.38
KDR P35968 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ACVR1 Q04771 1/20 0.38
MAP4K2 Q12851 1/20 0.38
DYRK1A Q13627 1/20 0.38
AURKB Q96GD4 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
FLT1 P17948 1/20 0.38
CDK9 P50750 1/20 0.38
LIMK1 P53667 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
TNK2 Q07912 1/20 0.33

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
SCHEMBL24579491 0.85 CDK8 (0.36) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL24983656 0.82 CDK8 (0.34) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL15935242 0.74 ADORA3 (0.35) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL30788380 0.74 CDK8 (0.34) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9611703 0.72 CDK8 (0.44) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL24995358 0.72 ABL1 (0.36) KDRSMN1; SMN2TNK2ABL1SRC
SCHEMBL19574794 0.72 MAPK1 (0.36) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL15298408 0.71 ADORA3 (0.35) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL4546562 0.71 CDK8 (0.53) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL18237586 0.71 KDM4E (0.34) CHEK1LIMK1SMN1; SMN2ADORA3TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 US disclosed
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
US-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2020-10-29 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 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 (4 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-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 CDK8 732/4885ROCK1 1783/4885CHEK1 2108/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CDK8 881/4885ROCK1 2179/4885CHEK1 628/4885
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF RIPK1, RIPK3, RIPK4 CDK8 1995/4885ROCK1 58/4885CHEK1 409/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 CDK8 732/4885ROCK1 1783/4885CHEK1 2108/4885

“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.