SCHEMBL255396

SCHEMBL255396

Cc1ccc(C2C(=O)NCCN2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
NPBWR1 P48145 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.34
BTK Q06187 1/20 0.34
CCR1 P32246 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL161388 0.85 CYP19A1 (0.41) TSHRKMT2AMAPTALDH1A1KDM4E
SCHEMBL25268496 0.85 PRCP (0.46) TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL5586395 0.83 KMT2A (0.40) TSHRKMT2ARAB9AMAPTPOLB
SCHEMBL15341604 0.83 HPGD (0.41) TSHRKMT2AMAPTPOLBALDH1A1
SCHEMBL161463 0.80 LMNA (0.42) KMT2AMAPTPOLBALDH1A1HPGD
SCHEMBL17227590 0.78 KMT2A (0.38) TSHRKMT2ARAB9AMAPTPOLB
SCHEMBL30929579 0.73 SMN1; SMN2 (0.39) KMT2AMAPTSMN1; SMN2TP53ATM
SCHEMBL255085 0.72 CHRNA7 (0.38) KMT2ARAB9AMAPTKDM4ETP53
SCHEMBL19544871 0.72 BTK (0.36) TSHRBTK
SCHEMBL10505476 0.70 SLC6A4 (0.39) MAPT

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-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 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-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 TSHR 1852/4885KMT2A 3969/4885RAB9A 3370/4885

“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.