SCHEMBL3346194

SCHEMBL3346194

Cc1cncc(-c2ccc(C)c(N)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 3/20 0.50
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 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
NTRK1 P04629 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CASP1 P29466 1/20 0.39
CYP3A4 P08684 2/20 0.37
TSHR P16473 3/20 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
SCHEMBL25524170 0.86 ALDH1A1 (0.53) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL16415305 0.80 ALDH1A1 (0.48) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL25524054 0.80 CYP11B2 (0.62) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL16419560 0.79 CYP11B2 (0.50) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL25524135 0.78 CYP11B1 (0.47) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL18023974 0.77 FYN (0.51) CYP11B1CYP11B2
SCHEMBL3346188 0.76 SIRT3 (0.45) CYP11B1CYP11B2TDP1PAK1
SCHEMBL3346933 0.76 PIK3CD (0.50) CYP11B1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL11004271 0.74 AURKB (0.54) CYP11B1CYP11B2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3342851 0.74 CYP11B1 (0.46) CYP11B1ALDH1A1NPC1RAB9AKDM4E

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 CYP11B1 2431/4885CYP11B2 2515/4885ALDH1A1 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.