SCHEMBL24915004

SCHEMBL24915004

COc1c(O)nc(-c2cccc(Br)c2)nc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.48
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
NPC1 O15118 4/20 0.42
TSHR P16473 4/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL24915001 0.81 DHPS (0.64) DHPSGABRG2GABRB3GABRA5GABRA3
SCHEMBL1812558 0.81 PDGFRB (0.48) DHPSABCG2
SCHEMBL5249424 0.79 PDE4B (0.50) DHPSNPC1TSHRRAB9AKMT2A
SCHEMBL4547022 0.76 RAB9A (0.56) NPC1TSHRHPGDRAB9AKMT2A
SCHEMBL29878444 0.76 RAB9A (0.56) NPC1TSHRHPGDRAB9AKMT2A
SCHEMBL24914997 0.75 DHPS (0.76) DHPSGABRG2GABRB3GABRA5GABRA3
SCHEMBL25382436 0.73 ABCG2 (0.55) NPC1TSHRHPGDRAB9AKMT2A
SCHEMBL30361125 0.73 ABCG2 (0.55) NPC1TSHRHPGDRAB9AKMT2A
SCHEMBL27782217 0.72 ALOX15 (0.44) GABRG2GABRB3GABRA5GABRA3NPC1
SCHEMBL18427352 0.72 PDGFRB (0.43) DHPSABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP 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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 DHPS 863/4885GABRG2 1680/4885GABRB3 777/4885

“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.