SCHEMBL21177437

SCHEMBL21177437

COc1ccc(-c2ncc(C(C)C)c(Cl)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 5/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
DHPS P49366 1/20 0.42
XDH P47989 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL21177492 0.81 NPC1 (0.50) CLK4MAPTKDM4ETP53NPC1
SCHEMBL21177223 0.81 NPC1 (0.38) CLK4MAPTTP53NPC1MEN1
SCHEMBL21179360 0.80 LMNA (0.47) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL2118439 0.74 ALDH1A1 (0.54) CLK4MAPTKDM4ETP53NPC1
SCHEMBL28827827 0.71 CLK4 (0.52) CLK4MAPTKDM4ETP53NPC1
SCHEMBL27719386 0.70 CLK4 (0.52) CLK4MAPTKDM4ETP53NPC1
SCHEMBL14983667 0.70 CLK4 (0.52) CLK4MAPTKDM4ETP53NPC1
SCHEMBL28849727 0.70 CLK4 (0.61) CLK4MAPTKDM4ETP53NPC1
SCHEMBL8742183 0.70 KMT2A (0.49) CLK4MAPTKDM4ETP53NPC1
SCHEMBL23040865 0.70 NPC1 (0.48) CLK4MAPTNPC1MEN1KMT2A

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 CLK4 243/4885MAPT 1848/4885KDM4E 1807/4885

“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.