SCHEMBL4156419

SCHEMBL4156419

CNCCOc1cc(C(=NN)c2cc(C)c(C)o2)nc(N2CCOCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 5/20 0.35
IKBKB O14920 1/20 0.34
PIK3CA P42336 2/20 0.33
AKT1 P31749 2/20 0.33
MTOR P42345 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
DHFR P00374 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL4156402 1.00 L3MBTL1 (0.35) L3MBTL1ALDH1A1HPGDCYP3A4CYP1A2
SCHEMBL303145 0.90 TYK2 (0.36) ALDH1A1HPGDCYP3A4CYP1A2CYP2C9
SCHEMBL303147 0.90 TYK2 (0.36) ALDH1A1HPGDCYP3A4CYP1A2CYP2C9
SCHEMBL303680 0.84 KDM4E (0.35) L3MBTL1KDM4EPIK3CAPIK3CB
SCHEMBL302619 0.84 KDM4E (0.40) ALDH1A1CYP3A4CYP1A2CYP2C9KDM4E
SCHEMBL303678 0.84 KDM4E (0.35) L3MBTL1KDM4EPIK3CAPIK3CB
SCHEMBL302621 0.84 KDM4E (0.40) ALDH1A1CYP3A4CYP1A2CYP2C9KDM4E
SCHEMBL302806 0.80 SMN1; SMN2 (0.42) ALDH1A1CYP3A4CYP2C9KDM4EGLA
SCHEMBL426566 0.80 SMN1; SMN2 (0.42) ALDH1A1CYP3A4CYP2C9KDM4EGLA
SCHEMBL301886 0.76 ATR (0.38) ALDH1A1HPGDCYP3A4CYP1A2CYP2C9

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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 L3MBTL1 3992/4885ALDH1A1 747/4885HPGD 768/4885

“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.