SCHEMBL2492091

SCHEMBL2492091

Nc1nc2n(n1)CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BLM P54132 1/20 0.45
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NUDT1 P36639 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PDPK1 O15530 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
APAF1 O14727 1/20 0.31
NSD2 O96028 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL2546676 0.98 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ABLM
Trifluoroacetic Acid SCHEMBL2517216 0.83 MAPK1 (0.37) ALDH1A1MAPTMEN1KMT2ABLM
SCHEMBL10236244 0.77 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ABLM
SCHEMBL2491342 0.77 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2ABLM
SCHEMBL2651142 0.74 MEN1 (0.41) ALDH1A1MAPTMEN1KMT2ABLM
SCHEMBL2666680 0.74 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ABLM
SCHEMBL31456615 0.74 MEN1 (0.41) ALDH1A1MAPTMEN1KMT2ABLM
SCHEMBL18615155 0.74 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ABLM
SCHEMBL22888300 0.71 SMN1; SMN2 (0.36) ALDH1A1MAPTMEN1KMT2ABLM
SCHEMBL3760731 0.69 MEN1 (0.37) ALDH1A1MAPTMEN1KMT2ABLM

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
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP claimed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO claimed
US-11440915-B2 Triazolo-azepine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-09-13 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-11440915-B2 Triazolo-azepine derivatives HUWE1, PSEN1, UPF1 ALDH1A1 3017/4885MAPT 187/4885MEN1 868/4885

“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.