SCHEMBL4357556

SCHEMBL4357556

Nc1nc(N2CCCCC2)c2cc(-c3ccc(Cl)cc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.51
MAP2K7 O14733 1/20 0.49
NPY5R Q15761 1/20 0.48
PRKDC P78527 1/20 0.48
EGLN1 Q9GZT9 5/20 0.47
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL4357668 0.87 HRH4 (0.68) HRH4
SCHEMBL4358188 0.87 PRKDC (0.52) HRH4PRKDCEGLN1TDP1KDM4E
SCHEMBL4356738 0.87 HRH4 (0.51) HRH4NPY5RPRKDCEGLN1
SCHEMBL4351528 0.83 HRH4 (0.58) HRH4PRKDC
SCHEMBL4365740 0.82 AKT1 (0.51) HRH4
SCHEMBL4356990 0.80 NOS1 (0.59) HRH4MAP2K7NPY5RTDP1KDM4E
SCHEMBL4354005 0.80 APP (0.50) HRH4EGLN1KDM4EMAPTALDH1A1
SCHEMBL4361869 0.78 HTT (0.55) KDM4EMAPTHPGDALDH1A1MAPK1
SCHEMBL4356745 0.78 HRH4 (0.59) HRH4NPY5RPRKDCKDM4EMAPT
SCHEMBL4357956 0.77 EGLN1 (0.48) NPY5REGLN1FABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US claimed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US claimed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US claimed
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 claimed
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 claimed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
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 (4 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-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 HRH4 25/4885MAP2K7 1120/4885NPY5R 45/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 HRH4 22/4885MAP2K7 1046/4885NPY5R 46/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 HRH4 16/4885MAP2K7 1171/4885NPY5R 40/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 HRH4 16/4885MAP2K7 1171/4885NPY5R 40/4885

“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.