SCHEMBL3260686

SCHEMBL3260686

NCCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
HSD11B1 P28845 5/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KIF11 P52732 4/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
NLRP3 Q96P20 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2359649 0.87 LMNA (0.35) TAAR1HSD11B1LMNANPSR1KIF11
SCHEMBL14032263 0.84 AGTR1 (0.35) HSD11B1LMNANPSR1AGTR1AGTR2
SCHEMBL22615880 0.84 HSD11B1 (0.36) HSD11B1LMNANPSR1AGTR1AGTR2
SCHEMBL838908 0.81 SLC9A1 (0.36) HSD11B1LMNANPSR1AGTR1AGTR2
SCHEMBL8418644 0.81 DAGLA (0.35) HSD11B1LMNANPSR1AGTR1AGTR2
SCHEMBL7202719 0.81 DAGLA (0.35) HSD11B1LMNANPSR1AGTR1AGTR2
SCHEMBL3568399 0.80 SLC9A1 (0.35) HSD11B1LMNANPSR1AGTR1AGTR2
SCHEMBL8417361 0.80 DAGLA (0.34) HSD11B1LMNANPSR1AGTR1AGTR2
SCHEMBL1121488 0.80 LMNA (0.35) HSD11B1LMNANPSR1AGTR1AGTR2
SCHEMBL5357964 0.80 LMNA (0.35) HSD11B1LMNANPSR1AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 US disclosed
WO-2016203335-A1 NOVEL PYRIDO[2,3-B]PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 WO disclosed
WO-2010022249-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE DISCOVERY CORPORATION (US) 2010-02-25 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-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS BRD4, BRD3, BET1 CYP2A6 3346/4885HTR2A 3795/4885SMN1; SMN2 4137/4885

“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.