SCHEMBL4358134

SCHEMBL4358134

Cc1ccc(N2CCN(c3ncnc4ccc(-c5ccc(F)cc5)cc34)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.61
BACE1 P56817 2/20 0.61
MAPT P10636 4/20 0.58
HTT P42858 2/20 0.55
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP3A4 P08684 9/20 0.51
CLK4 Q9HAZ1 9/20 0.51
CYP1A2 P05177 7/20 0.51
ALDH1A1 P00352 7/20 0.51
HIF1A Q16665 7/20 0.51
MAPK1 P28482 7/20 0.51
CYP2D6 P10635 6/20 0.51
LMNA P02545 6/20 0.51
USP2 O75604 4/20 0.51
CYP2C19 P33261 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 3/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL4363813 0.88 ACHE (0.59) ACHEBACE1MAPTHTTCYP3A4
SCHEMBL4351539 0.85 CYP3A4 (0.68) ACHEBACE1MAPTHTTSMN1; SMN2
SCHEMBL30734233 0.83 ACHE (0.55) ACHEBACE1MAPTHTTSMN1; SMN2
SCHEMBL4359543 0.83 ACHE (0.75) ACHEBACE1SMN1; SMN2CYP3A4CLK4
SCHEMBL4357245 0.83 CLK4 (0.70) HTTCYP3A4CLK4CYP1A2ALDH1A1
SCHEMBL4357285 0.82 ACHE (0.53) ACHEBACE1MAPTCYP3A4CLK4
SCHEMBL4356019 0.82 HTT (0.55) ACHEBACE1MAPTHTTCYP3A4
SCHEMBL5853435 0.82 ACHE (0.56) ACHEBACE1MAPTHTTSMN1; SMN2
SCHEMBL4362475 0.81 HRH4 (0.58) MAPTMEN1KMT2AKDM4EMAPKAPK2
SCHEMBL4351530 0.80 HTT (0.71) ACHEBACE1MAPTHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACHE 4515/4885BACE1 4342/4885MAPT 4544/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 ACHE 4468/4885BACE1 4089/4885MAPT 4459/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 ACHE 4535/4885BACE1 4232/4885MAPT 4472/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 ACHE 4535/4885BACE1 4232/4885MAPT 4472/4885

“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.