SCHEMBL3843737

SCHEMBL3843737

Cn1c(=O)[nH]c2ncn(CC(C)(C)C)c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
CNOT7 Q9UIV1 10/20 0.43
PARN O95453 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
APAF1 O14727 1/20 0.40
CASP6 P55212 1/20 0.40
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
GDA Q9Y2T3 1/20 0.36

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
SCHEMBL9386885 0.99 ALDH1A1 (0.59) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL9300704 0.89 LMNA (0.57) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL9387987 0.85 CNOT7 (0.45) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL13217674 0.83 ALDH1A1 (0.66) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL4534193 0.81 LMNA (0.62) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL9387776 0.80 CNOT7 (0.43) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL13659011 0.79 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL9299928 0.79 LMNA (0.60) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL4532803 0.79 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL9386947 0.79 SMN1; SMN2 (0.58) ALDH1A1LMNAMAPTTSHRCNOT7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1082546-A 7-neo-pentyl xanthine derivative, their preparation and include their pharmaceutical composition MALESCI SAS (IT) 1994-02-23 CN claimed
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 US disclosed
CN-1082546-A 7-neo-pentyl xanthine derivative, their preparation and include their pharmaceutical composition MALESCI SAS (IT) 1994-02-23 CN disclosed
WO-1994000452-A1 7-NEOPENTYL XANTHINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 1994-01-06 WO 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-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D ALDH1A1 1368/4885LMNA 2043/4885CYP3A4 4247/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 ALDH1A1 1378/4885LMNA 2244/4885CYP3A4 4717/4885

“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.