SCHEMBL21177216

SCHEMBL21177216

COC(=O)C(=O)c1c[nH]c2nccc(Nc3nc(-c4ccc(F)cc4)ccc3C(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.38
CAMKK2 Q96RR4 4/20 0.38
PIK3CG P48736 3/20 0.38
GSK3B P49841 4/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PIK3CA P42336 1/20 0.35
HDAC2 Q92769 3/20 0.33
HDAC1 Q13547 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
JAK3 P52333 1/20 0.31

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
SCHEMBL21177267 0.91 PIK3CG (0.37) MAPK8CAMKK2PIK3CGGSK3BNPC1
Hydrochloric Acid SCHEMBL21177462 0.90 PIK3CG (0.37) MAPK8CAMKK2PIK3CGGSK3BNPC1
SCHEMBL21189995 0.89 PIK3CG (0.35) MAPK8CAMKK2PIK3CGGSK3BNPC1
SCHEMBL21177224 0.89 MAPK8 (0.35) MAPK8CAMKK2PIK3CGGSK3BHDAC2
SCHEMBL21177221 0.85 TGFBR1 (0.44) MAPK8CAMKK2PIK3CGGSK3BHDAC2
SCHEMBL21987108 0.81 JAK2 (0.38) MAPK8CAMKK2PIK3CGGSK3BNPC1
SCHEMBL21177212 0.80 CAMKK2 (0.36) MAPK8CAMKK2PIK3CGGSK3BNPC1
SCHEMBL21177269 0.79 HDAC1 (0.34) MAPK8CAMKK2PIK3CGGSK3BHDAC2
SCHEMBL21177489 0.79 SCN9A (0.35) MAPK8CAMKK2PIK3CGGSK3BHDAC2
SCHEMBL21190032 0.78 MAPK8 (0.38) MAPK8CAMKK2PIK3CGGSK3BHDAC2

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 4 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 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 MAPK8 12/4885CAMKK2 402/4885PIK3CG 520/4885

“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.