Sugi Predict

Sugi Predict / Compounds / SCHEMBL21177489

SCHEMBL21177489

SCHEMBL21177489

CC(C)c1cnc(-c2ccc(F)cc2)nc1Nc1ccnc2[nH]cc(C(=O)C(N)=O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.35
▸ MAPK8 P45983 4/20 0.34
▸ CAMKK2 Q96RR4 3/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ GSK3B P49841 4/20 0.34
▸ PDPK1 O15530 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ PRKCG P05129 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 SCHEMBL21177477 0.99 SCN9A (0.35) SCN9AMAPK8CAMKK2HDAC1HDAC2
SCHEMBL21190032 0.94 MAPK8 (0.38) SCN9AMAPK8CAMKK2HDAC1HDAC2
SCHEMBL21177269 0.93 HDAC1 (0.34) SCN9AMAPK8CAMKK2HDAC1HDAC2
SCHEMBL21177237 0.92 PDE4B (0.38) MAPK8CAMKK2PIK3CGGSK3BCDC7
SCHEMBL21177224 0.91 MAPK8 (0.35) SCN9AMAPK8CAMKK2HDAC1HDAC2
SCHEMBL21177194 0.91 HDAC1 (0.33) SCN9AMAPK8CAMKK2HDAC1HDAC2
Hydrochloric Acid SCHEMBL21177491 0.91 PDE4B (0.38) MAPK8CAMKK2PIK3CGGSK3BCDC7
SCHEMBL21177242 0.90 CYP1A2 (0.38) SCN9AMAPK8CAMKK2HDAC1HDAC2
Hydrochloric Acid SCHEMBL21177244 0.90 HDAC1 (0.33) SCN9AMAPK8CAMKK2HDAC1HDAC2
SCHEMBL21177226 0.90 JAK2 (0.38) SCN9AMAPK8CAMKK2PIK3CGGSK3B

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 SCN9A 1080/4885MAPK8 12/4885CAMKK2 402/4885

“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.