SCHEMBL21177237

SCHEMBL21177237

CC(C)c1cnc(-c2ccccc2)nc1Nc1ccnc2[nH]cc(C(=O)C(N)=O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.38
GSK3B P49841 2/20 0.36
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CAMKK2 Q96RR4 3/20 0.36
JAK3 P52333 3/20 0.35
ACVR1B P36896 2/20 0.35
TGFBR1 P36897 2/20 0.35
JAK1 P23458 1/20 0.35
MAPK8 P45983 2/20 0.35
PIK3CG P48736 2/20 0.35
JAK2 O60674 2/20 0.34
LDHB P07195 1/20 0.34

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
Hydrochloric Acid SCHEMBL21177491 0.99 PDE4B (0.38) PDE4BGSK3BCDC7ROCK2MAP4K4
SCHEMBL21177489 0.92 SCN9A (0.35) GSK3BCDC7ROCK2MAP4K4PIM1
Hydrochloric Acid SCHEMBL21177477 0.91 SCN9A (0.35) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL21177212 0.91 CAMKK2 (0.36) PDE4BGSK3BCDC7ROCK2MAP4K4
SCHEMBL21177226 0.89 JAK2 (0.38) GSK3BCDC7ROCK2MAP4K4PIM1
Hydrochloric Acid SCHEMBL21177268 0.88 JAK2 (0.38) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL21177269 0.86 HDAC1 (0.34) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL21190032 0.85 MAPK8 (0.38) PDE4BGSK3BCDC7ROCK2MAP4K4
SCHEMBL21177194 0.83 HDAC1 (0.33) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL21177224 0.83 MAPK8 (0.35) GSK3BCAMKK2MAPK8PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-06-04 US claimed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 WO claimed
US-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-06-04 US disclosed
US-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-06-04 US disclosed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 WO disclosed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 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 (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-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE MAP2K2, MAP2K5, MAP2K1 PDE4B 612/4885GSK3B 132/4885CDC7 908/4885

“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.