SCHEMBL337033

SCHEMBL337033

CC(C)(C)C1[C@@H](n2cnc3c(Cl)nc(Cl)nc32)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TMIGD3 P0DMS9 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ADORA3 P0DMS8 10/20 0.35
ADORA1 P30542 5/20 0.35
P2RX7 Q99572 2/20 0.34
ADORA2A P29274 3/20 0.34
CHKA P35790 3/20 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
SCHEMBL336145 0.84 NT5E (0.45) TDP1ADORA3
Bicarbonate SCHEMBL3029042 0.72 AHCY (0.53) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL774618 0.71 PNP (0.46) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL29353764 0.70 LMNA (0.43) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL19820551 0.70 LMNA (0.43) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL17144451 0.70 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1913691 0.70 HCAR1 (0.48) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL30677299 0.70 HCAR1 (0.48) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL23452622 0.69 JAK2 (0.34)
SCHEMBL30677554 0.69 LMNA (0.42) LMNATP53ALDH1A1MAPTTDP1

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
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 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 (2 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-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 LMNA 4352/4885TP53 302/4885ALDH1A1 2409/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 LMNA 4352/4885TP53 302/4885ALDH1A1 2409/4885

“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.