SCHEMBL22987398

SCHEMBL22987398

Clc1ccccc1-c1nc2c3ccccc3nc(Cl)n2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.50
XDH P47989 1/20 0.49
ADORA3 P0DMS8 2/20 0.49
ADORA1 P30542 1/20 0.49
MAPT P10636 4/20 0.48
ABCB1 P08183 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL29646409 1.00 HPGD (0.51) HPGDALDH1A1XDHADORA3ADORA1
SCHEMBL22987933 0.92 ADORA3 (0.47) HPGDALDH1A1XDHADORA3ADORA1
SCHEMBL29646428 0.86 ADORA3 (0.50) HPGDALDH1A1ADORA3ADORA1MAPT
SCHEMBL22980067 0.86 TP53 (0.47) ADORA3ADORA1MAPTMAPK1TP53
SCHEMBL22979102 0.86 ADORA3 (0.50) HPGDALDH1A1ADORA3ADORA1MAPT
SCHEMBL29646419 0.86 TP53 (0.47) ADORA3ADORA1MAPTMAPK1TP53
SCHEMBL22987617 0.86 NPC1 (0.58) HPGDALDH1A1ADORA3ADORA1MAPT
SCHEMBL22987555 0.84 ADORA3 (0.43) HPGDXDHADORA3ADORA1MAPT
SCHEMBL22979023 0.83 ADORA3 (0.69) ADORA3ADORA1MAPTMEN1KMT2A
SCHEMBL29646414 0.83 ADORA3 (0.69) ADORA3ADORA1MAPTMEN1KMT2A

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 HPGD 568/4885ALDH1A1 597/4885XDH 1545/4885

“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.