SCHEMBL4358480

SCHEMBL4358480

Nc1nc(NBr)c2cc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
GBA1 P04062 5/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL4367570 0.92 L3MBTL1 (0.46) L3MBTL1GBA1KMT2AMEN1KDM4E
SCHEMBL4366103 0.87 CNR1 (0.46) L3MBTL1GBA1KMT2AMEN1KDM4E
SCHEMBL4355355 0.87 GBA1 (0.47) L3MBTL1GBA1KMT2AMEN1LMNA
SCHEMBL4355357 0.83 GBA1 (0.45) L3MBTL1GBA1KMT2AMEN1KDM4E
SCHEMBL4779669 0.81 L3MBTL1 (0.47) L3MBTL1GBA1KMT2AMEN1KDM4E
SCHEMBL4095539 0.76 KMT2A (0.47) L3MBTL1GBA1KMT2AMEN1KDM4E
SCHEMBL4353089 0.74 CNR1 (0.43) L3MBTL1LMNATSHRMAPTCNR1
SCHEMBL4102155 0.73 KMT2A (0.44) L3MBTL1GBA1KMT2AMEN1KDM4E
SCHEMBL4107991 0.73 L3MBTL1 (0.44) L3MBTL1GBA1KMT2AMEN1KDM4E
SCHEMBL4362772 0.72 ATM (0.47)

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-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 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 (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-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 L3MBTL1 2036/4885GBA1 4166/4885KMT2A 2367/4885

“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.