SCHEMBL3386121

SCHEMBL3386121

Nc1cnc(N)c(CC2CCOCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.38
PIK3CA P42336 3/20 0.34
AKT1 P31749 2/20 0.34
MTOR P42345 2/20 0.34
DHFR P00374 1/20 0.34
DCPS Q96C86 1/20 0.34
CSF1R P07333 5/20 0.34
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CCNT1 O60563 1/20 0.32
FEN1 P39748 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
MAP3K12 Q12852 1/20 0.31
AXL P30530 1/20 0.31
MERTK Q12866 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
SCHEMBL5492557 0.88 FEN1 (0.31) FEN1
SCHEMBL29975352 0.78 PIK3CA (0.34) PIK3CA
SCHEMBL2634024 0.74 DHFR (0.42) DHFRDCPS
SCHEMBL12466143 0.74 KDM1A (0.40) MAPK1DHFRDCPSFEN1BACE1
SCHEMBL481935 0.72 CYP11B2 (0.40) MAPK1PIK3CAAKT1MTORDHFR
Hydrochloric Acid SCHEMBL28266713 0.72 HRH3 (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL21848173 0.71 MAPK1 (0.38) MAPK1PIK3CAMTORDHFRMAP3K12
SCHEMBL1564767 0.71 MAPK1 (0.38) MAPK1DHFRDCPSCSF1RFEN1
Ammonia Solution, Strong SCHEMBL16914060 0.70 HTT (0.46) CSF1R
SCHEMBL25924998 0.69 PDE1A (0.34) MAPK1MAP3K12

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-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 MAPK1 652/4885PIK3CA 1362/4885AKT1 778/4885

“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.