SCHEMBL2250437

SCHEMBL2250437

Nc1nc2cccc(N3CCCC3)n2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.57
JAK1 P23458 3/20 0.42
EGLN2 Q96KS0 3/20 0.42
JAK3 P52333 2/20 0.42
JAK2 O60674 1/20 0.42
PTK2 Q05397 1/20 0.42
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE10A Q9Y233 3/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL2253273 0.98 NUDT1 (0.60) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL2254109 0.98 NUDT1 (0.60) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL2252271 0.87 NUDT1 (0.46) NUDT1JAK1EGLN2MAPTCYP1A2
SCHEMBL3262865 0.86 NUDT1 (0.45) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL3261461 0.84 NUDT1 (0.44) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL25678808 0.82 ADORA2A (0.46) NUDT1JAK1JAK3MAPTHTT
SCHEMBL3262068 0.81 NUDT1 (0.46) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL3216262 0.80 JAK1 (0.44) NUDT1JAK1EGLN2JAK3JAK2
SCHEMBL25221365 0.75 NUDT1 (0.40) NUDT1JAK1JAK3JAK2
SCHEMBL25268544 0.75 NUDT1 (0.40) NUDT1JAK1JAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed
EP-2531503-A1 GAMMA SECRETASE MODULATERS F. Hoffmann-La Roche AG (CH) 2012-12-12 EP disclosed
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 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-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B NUDT1 1834/4885JAK1 4301/4885EGLN2 3544/4885

“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.