SCHEMBL3342664

SCHEMBL3342664

Cc1ccnc(-c2ccc(C)c(N)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
CASP1 P29466 1/20 0.39
S1PR1 P21453 3/20 0.39
NTRK1 P04629 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 2/20 0.37
CYP1A1 P04798 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL8282000 0.83 HSD17B10 (0.46) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL1027167 0.82 RAB9A (0.53) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL22130225 0.80 KIT (0.41) RAB9ANPC1ALDH1A1MAPTIRAK4
SCHEMBL10864552 0.80 IRAK4 (0.39) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6325641 0.78 MEN1 (0.45) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL22130305 0.78 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL31186653 0.77 CYP1A1 (0.46) IRAK4CYP3A4CYP1A1LMNA
SCHEMBL3346131 0.77 DYRK1A (0.53) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL24151459 0.76 IRAK4 (0.44) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL3342661 0.76 TGFBR1 (0.46) ALDH1A1TDP1TGFBR1

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 RAB9A 1850/4885NPC1 1906/4885ALDH1A1 1506/4885

“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.