SCHEMBL4355293

SCHEMBL4355293

Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4ccc(Br)cc34)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 3/20 0.61
LIMK2 P53671 2/20 0.52
ALDH1A1 P00352 1/20 0.51
FAAH O00519 5/20 0.51
PDGFRB P09619 2/20 0.51
RAB9A P51151 2/20 0.50
HRH4 Q9H3N8 2/20 0.50
MAPT P10636 2/20 0.48
P2RY12 Q9H244 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
MEN1 O00255 1/20 0.45
HCRTR1 O43613 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4358275 0.87 FAAH (0.49) PI4KBLIMK2ALDH1A1FAAHPDGFRB
SCHEMBL4358579 0.85 PI4KB (0.58) PI4KBLIMK2ALDH1A1FAAHPDGFRB
SCHEMBL4362142 0.85 PI4KB (0.58) PI4KBLIMK2ALDH1A1FAAHPDGFRB
SCHEMBL18041170 0.85 PI4KB (0.64) PI4KBLIMK2ALDH1A1FAAHRAB9A
SCHEMBL4358313 0.84 PI4KB (0.57) PI4KBLIMK2ALDH1A1FAAHPDGFRB
SCHEMBL4358653 0.84 PDGFRB (0.67) LIMK2ALDH1A1PDGFRBRAB9AMAPK1
SCHEMBL4358346 0.83 PDE4A (0.60) PI4KBLIMK2ALDH1A1FAAHPDGFRB
SCHEMBL8152759 0.82 PI4KB (0.66) PI4KBLIMK2ALDH1A1FAAHPDGFRB
SCHEMBL4532499 0.81 PI4KB (0.65) PI4KBLIMK2ALDH1A1FAAHRAB9A
SCHEMBL17377852 0.81 PI4KB (0.72) PI4KBLIMK2ALDH1A1FAAHRAB9A

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 9 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-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 PI4KB 3651/4885LIMK2 3737/4885ALDH1A1 2743/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 PI4KB 4128/4885LIMK2 4163/4885ALDH1A1 2942/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 PI4KB 3810/4885LIMK2 4253/4885ALDH1A1 3119/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 PI4KB 3810/4885LIMK2 4253/4885ALDH1A1 3119/4885

“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.