SCHEMBL21179360

SCHEMBL21179360

CC(C)c1cnc(-c2ccccc2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 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
SCHEMBL21177223 0.83 NPC1 (0.38) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL21177437 0.80 CLK4 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL23370552 0.80 KMT2A (0.50) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL12009458 0.80 SMN1; SMN2 (0.45) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13150859 0.80 NPC1 (0.45) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL21177243 0.79 SMN1; SMN2 (0.44) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL13841426 0.78 LMNA (0.55) LMNAKMT2AMEN1HTTNPC1
SCHEMBL5712552 0.77 KMT2A (0.53) LMNAKMT2AMEN1HTTNPC1
SCHEMBL17412412 0.76 KMT2A (0.52) LMNAKMT2AMEN1HTTNPC1
SCHEMBL24703781 0.75 NPC1 (0.41) LMNAKMT2AMEN1NPC1RAB9A

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 LMNA 1589/4885KMT2A 2108/4885MEN1 4178/4885

“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.