SCHEMBL22987555

SCHEMBL22987555

Clc1cc(Br)ccc1-c1nc2c3ccccc3nc(Cl)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.43
ADORA1 P30542 3/20 0.43
MAPT P10636 4/20 0.41
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE10A Q9Y233 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
HPGD P15428 1/20 0.37
XDH P47989 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL25118862 0.88 CSNK1A1 (0.54) ADORA3ADORA1MAPTCSNK1A1CSNK1D
SCHEMBL29646409 0.84 HPGD (0.51) ADORA3ADORA1MAPTLMNATP53
SCHEMBL22987398 0.84 HPGD (0.51) ADORA3ADORA1MAPTLMNATP53
SCHEMBL22987588 0.83 ADORA3 (0.39) ADORA3ADORA1MAPTCSNK1A1CSNK1D
SCHEMBL22987592 0.83 MCHR1 (0.39) ADORA3ADORA1CSNK1A1CSNK1DCSNK1E
SCHEMBL22987617 0.82 NPC1 (0.58) ADORA3ADORA1MAPTNPC1RAB9A
SCHEMBL22988116 0.81 ADORA3 (0.53) ADORA3ADORA1MAPTLMNATP53
SCHEMBL22987661 0.80 ADORA3 (0.40) ADORA3ADORA1CSNK1A1CSNK1DCSNK1E
SCHEMBL22987933 0.79 ADORA3 (0.47) ADORA3ADORA1MAPTPDE10AHPGD
SCHEMBL30393080 0.79 RAB9A (0.65) MAPTNPC1RAB9AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO 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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 ADORA3 34/4885ADORA1 21/4885MAPT 4047/4885

“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.