SCHEMBL23780358

SCHEMBL23780358

Nc1nc(NBr)c2cc(-c3ccc4c(c3)OCCO4)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
CLK4 Q9HAZ1 8/20 0.45
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C19 P33261 2/20 0.43
DYRK1A Q13627 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL4355769 0.88 SRC (0.49) SRCCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4358261 0.84 SRC (0.47) SRCCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4355312 0.81 IRAK4 (0.53) SRCCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4358316 0.81 EGFR (0.54) SRCCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL4356444 0.78 IRAK4 (0.49) SRCCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4366361 0.77 EGFR (0.56) SRCCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL4362145 0.75 DYRK1A (0.54) SRCDYRK1AMAPTKDM4ESMN1; SMN2
SCHEMBL4358319 0.75 SRC (0.43) SRCCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL182832 0.72 ERN1 (0.45) SRCMAPTTSHRKDM4EALDH1A1
SCHEMBL183204 0.72 ERN1 (0.45) SRCMAPTTSHRKDM4EALDH1A1

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 1 patent. 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 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-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 SRC 1979/4885CLK4 957/4885CYP1A2 1131/4885

“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.