SCHEMBL4355558

SCHEMBL4355558

CC(=O)Nc1nc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)c2cc(-c3ccc(Cl)cc3)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
NLRP3 Q96P20 1/20 0.52
FAAH O00519 3/20 0.49
P2RY12 Q9H244 1/20 0.47
PI4KB Q9UBF8 1/20 0.46
LIMK2 P53671 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
PDGFRB P09619 3/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PDGFRA P16234 1/20 0.43
AKT1 P31749 1/20 0.42
DGAT1 O75907 1/20 0.42

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
SCHEMBL4364130 0.93 FAAH (0.50) FAAHP2RY12PI4KBLIMK2ALDH1A1
SCHEMBL4365747 0.91 FAAH (0.49) FAAHP2RY12PI4KBLIMK2ALDH1A1
SCHEMBL4358579 0.88 PI4KB (0.58) SMN1; SMN2NLRP3FAAHP2RY12PI4KB
SCHEMBL4359357 0.87 MAPT (0.53) FAAHP2RY12PI4KBLIMK2ALDH1A1
SCHEMBL4358275 0.86 FAAH (0.49) SMN1; SMN2NLRP3FAAHP2RY12PI4KB
SCHEMBL4353441 0.84 AKT1 (0.47) P2RY12MAPTAKT1
SCHEMBL4358540 0.84 PDGFRB (0.61) SMN1; SMN2NLRP3P2RY12LIMK2PDGFRB
SCHEMBL4358313 0.83 PI4KB (0.57) FAAHPI4KBLIMK2ALDH1A1RAB9A
SCHEMBL4356100 0.82 ADORA3 (0.44) SMN1; SMN2ALDH1A1MAPTKDM4EAKT1
SCHEMBL4367764 0.81 MTOR (0.49) MAPTAKT1

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 SMN1; SMN2 3900/4885NLRP3 1423/4885FAAH 4121/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 SMN1; SMN2 3897/4885NLRP3 1750/4885FAAH 3941/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 SMN1; SMN2 3908/4885NLRP3 1775/4885FAAH 3862/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 SMN1; SMN2 3908/4885NLRP3 1775/4885FAAH 3862/4885

“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.