SCHEMBL5522571

SCHEMBL5522571

Cc1ccc(Nc2ncc(CCC(C)N(C)C)c(N)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.39
ALOX15 P16050 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.34
USP2 O75604 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
AXL P30530 1/20 0.33
DHFR P00374 1/20 0.33
TDO2 P48775 1/20 0.33
FLT3 P36888 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5533574 0.91 MEN1 (0.43) RAB9ANPC1HTTKMT2ASMN1; SMN2
SCHEMBL5529329 0.87 HTT (0.45) RAB9ANPC1HTTALOX15MAPK1
SCHEMBL2114090 0.84 RAB9A (0.44) RAB9ANPC1HTTKMT2AALOX15
SCHEMBL5524909 0.84 RAB9A (0.43) RAB9ANPC1KMT2AMAPK1MEN1
SCHEMBL5525987 0.83 NPC1 (0.41) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL5527171 0.82 L3MBTL1 (0.47) RAB9ANPC1HTTKMT2AMAPK1
SCHEMBL2114076 0.82 RAB9A (0.43) RAB9ANPC1HTTKMT2AALOX15
SCHEMBL4199140 0.82 KDM4E (0.41) RAB9ANPC1ALOX15SMN1; SMN2HSD17B10
SCHEMBL5535224 0.82 POLB (0.43) RAB9ANPC1LMNADHFR
SCHEMBL2113639 0.81 RAB9A (0.42) RAB9ANPC1HTTKMT2AALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed

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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG RAB9A 2884/4885NPC1 3660/4885HTT 4226/4885

“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.