SCHEMBL5529329

SCHEMBL5529329

Cc1ccccc1Nc1ncc(CCC(C)N(C)C)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
LRRK2 Q5S007 1/20 0.42
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ALDH1A1 P00352 2/20 0.38
PTK2 Q05397 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCNK O75909 2/20 0.36
CCND3 P30281 2/20 0.36
CDK9 P50750 2/20 0.36

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
SCHEMBL5525987 0.91 NPC1 (0.41) HTTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5523567 0.88 MAPT (0.38) NPC1RAB9ASMN1; SMN2CCNA2CDK2
SCHEMBL5522754 0.88 IGF1R (0.43) NPC1RAB9ASMN1; SMN2LRRK2PTK2
SCHEMBL5529511 0.87 TNK2 (0.35) MAPT
SCHEMBL5522571 0.87 RAB9A (0.41) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5533574 0.87 MEN1 (0.43) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5535331 0.84 LMNA (0.46) RAB9ASMN1; SMN2LMNALRRK2ALDH1A1
SCHEMBL5530876 0.84 CNR2 (0.34) NPC1RAB9ACCNA2CDK2CDK9
SCHEMBL2114996 0.83 HTT (0.49) HTTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5527171 0.82 L3MBTL1 (0.47) HTTNPC1RAB9ASMN1; SMN2LMNA

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 HTT 4226/4885NPC1 3660/4885RAB9A 2884/4885

“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.