SCHEMBL21177243

SCHEMBL21177243

CC(C)c1cnc(-c2ccccc2)nc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 4/20 0.44
USP1 O94782 2/20 0.43
WDR48 Q8TAF3 2/20 0.43
MEN1 O00255 3/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 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
SCHEMBL21177251 0.83 KMT2A (0.45) NPC1RAB9AKMT2AUSP1WDR48
SCHEMBL21177492 0.80 NPC1 (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL23370552 0.80 KMT2A (0.50) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL12009458 0.80 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL13150859 0.80 NPC1 (0.45) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL21179360 0.79 LMNA (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL24703781 0.75 NPC1 (0.41) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL24702582 0.75 MAPT (0.53) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL5331163 0.74 NPC1 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL1164032 0.74 NPC1 (0.52) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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 3 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
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 SMN1; SMN2 2555/4885NPC1 2839/4885RAB9A 1972/4885

“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.