SCHEMBL1709877

SCHEMBL1709877

NCc1ncc2n1CCN(Cc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
ALDH1A1 P00352 2/20 0.43
MC4R P32245 1/20 0.41
GAA P10253 1/20 0.40
COMT P21964 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DRD4 P21917 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5773487 0.86 SIGMAR1 (0.46) SIGMAR1ALDH1A1MC4RGAACOMT
SCHEMBL5778759 0.86 SIGMAR1 (0.46) SIGMAR1ALDH1A1MC4RCOMTNPC1
SCHEMBL23268618 0.83 SIGMAR1 (0.49) SIGMAR1ALDH1A1MC4RGAACOMT
SCHEMBL1999832 0.83 SIGMAR1 (0.42) SIGMAR1ALDH1A1MC4RGAACOMT
SCHEMBL5773600 0.82 NPC1 (0.46) SIGMAR1ALDH1A1NPC1RAB9ADRD4
SCHEMBL5775595 0.81 SIGMAR1 (0.50) SIGMAR1ALDH1A1MC4RCOMTNPC1
SCHEMBL10095281 0.80 SIGMAR1 (0.49) SIGMAR1ALDH1A1MC4RCOMTNPC1
SCHEMBL5776762 0.80 SIGMAR1 (0.49) SIGMAR1ALDH1A1MC4RGAACOMT
SCHEMBL1290485 0.80 HTR1A (0.43) ALDH1A1COMT
SCHEMBL1290640 0.77 ALDH1A1 (0.48) SIGMAR1ALDH1A1MC4RGAACOMT

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
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
WO-2012048222-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-12 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 (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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 SIGMAR1 2458/4885ALDH1A1 489/4885MC4R 3091/4885

“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.