SCHEMBL4727161

SCHEMBL4727161

COc1cncc2ccc(C(=O)NN)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 2/20 0.45
PDE4D Q08499 2/20 0.45
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 3/20 0.44
CTSD P07339 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4796063 0.85 MAPT (0.49) CA1CA2MAPTALDH1A1KMT2A
SCHEMBL4730761 0.84 CA12 (0.53) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL4730778 0.81 KDM4E (0.46) CA1CA2MAPTALDH1A1KMT2A
SCHEMBL29412632 0.75 CYP1A2 (0.63) CA1CA2MAPTALDH1A1KMT2A
SCHEMBL2446906 0.75 CYP1A2 (0.63) CA1CA2MAPTALDH1A1KMT2A
SCHEMBL4730799 0.74 P2RX7 (0.45) CA1CA2MAPTPDE4DALDH1A1
SCHEMBL22559289 0.74 LCK (0.50) CA1CA2MAPTALDH1A1KMT2A
SCHEMBL5709557 0.72 CA1 (0.53) CA1CA2MAPTALDH1A1KMT2A
SCHEMBL966735 0.72 CTSD (0.62) CA1CA2MAPTALDH1A1KMT2A
SCHEMBL5693970 0.72 CA1 (0.71) CA1CA2MAPTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR CA1 3039/4885CA2 3263/4885MAPT 4243/4885

“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.