SCHEMBL3751629

SCHEMBL3751629

Nn1c(-c2ccccc2)nc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
POLB P06746 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
KDM4E B2RXH2 2/20 0.67
MEN1 O00255 2/20 0.66
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 2/20 0.63
ALDH1A1 P00352 2/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
USP2 O75604 1/20 0.55
HSP90AA1 P07900 1/20 0.55
MAPT P10636 1/20 0.55
CASR P41180 1/20 0.55

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
SCHEMBL20102622 0.90 KMT2A (0.82) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL4233293 0.89 KMT2A (0.79) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL31758403 0.85 KMT2A (0.75) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL5928760 0.85 CYP1A2 (1.00) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL31438884 0.85 KMT2A (0.73) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL31438883 0.85 KMT2A (0.73) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL15064535 0.84 KMT2A (0.75) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL5928732 0.82 CYP1A2 (0.74) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL12758423 0.81 KMT2A (0.69) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL1428216 0.80 KDM4E (1.00) KMT2APOLBCYP1A2CYP2C9CYP2C19

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-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
WO-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20090035306-A1 QUINAZOLINONE MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-05 US disclosed
US-20060229324-A1 Quinazolin-4-one derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-10-12 US 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 (3 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-20090035306-A1 QUINAZOLINONE MODULATORS OF TGR5 GRK5, PLAAT5, GPBAR1 KMT2A 4183/4885POLB 4752/4885CYP1A2 1598/4885
US-20060229324-A1 Quinazolin-4-one derivatives HPGDS, PTGS1, PTGDR KMT2A 2207/4885POLB 3051/4885CYP1A2 84/4885
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 KMT2A 642/4885POLB 4177/4885CYP1A2 907/4885

“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.