SCHEMBL5486783

SCHEMBL5486783

Cc1nc(N2CCCC2)c2ccc(Nc3ccc(F)cc3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
NPY5R Q15761 8/20 0.50
LMNA P02545 4/20 0.44
MAPK1 P28482 3/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TERT O14746 1/20 0.43
DHFR P00374 1/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 2/20 0.41
HTR2C P28335 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL5485920 0.84 KMT2A (0.48) KMT2AMEN1NPY5RLMNAMAPK1
SCHEMBL22911938 0.83 MEN1 (0.57) KMT2AMEN1NPY5RMAPK1KDM4E
SCHEMBL5492423 0.81 PIK3CA (0.56) KMT2AMEN1NPY5RLMNAMAPK1
SCHEMBL5485928 0.79 CCR4 (0.38) KMT2AMEN1NPY5RLMNAMAPK1
SCHEMBL5485932 0.79 CCR4 (0.38) KMT2AMEN1NPY5RLMNAMAPK1
SCHEMBL5485963 0.77 MEN1 (0.50) KMT2AMEN1NPY5RMAPK1HSD17B10
SCHEMBL5489231 0.77 MEN1 (0.50) KMT2AMEN1NPY5RMAPK1HSD17B10
SCHEMBL5495832 0.76 MEN1 (0.49) KMT2AMEN1NPY5RMAPK1HSD17B10
SCHEMBL5412125 0.74 MEN1 (0.60) KMT2AMEN1NPY5RMAPK1KDM4E
SCHEMBL5491482 0.74 MEN1 (0.60) KMT2AMEN1NPY5RLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1560816-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US disclosed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 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-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 KMT2A 1664/4885MEN1 1326/4885NPY5R 360/4885

“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.