SCHEMBL20176288

SCHEMBL20176288

Cc1nn(PI)c2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
CASP3 P42574 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ELANE P08246 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDGFRA P16234 1/20 0.32
CDK5 Q00535 1/20 0.32
TYRO3 Q06418 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL20247410 0.80 ADORA2A (0.35) ADORA2AADORA2BELANECYP1A2CYP2D6
SCHEMBL20176639 0.80 MEN1 (0.33) MAPK8MEN1ALDH1A1KMT2AMAPT
SCHEMBL25446307 0.76 NT5E (0.38) MEN1ALDH1A1KMT2AELANECYP1A2
SCHEMBL25444963 0.76 MEN1 (0.34) MAPK8MEN1ALDH1A1KMT2AELANE
SCHEMBL1336984 0.75 ADORA2A (0.59) MAPK8ADORA2AADORA2BCASP3ALDH1A1
SCHEMBL23559727 0.75 KDM4E (0.43) ALDH1A1HTT
SCHEMBL25015127 0.74 KDM4E (0.41) ALDH1A1KMT2AELANENPC1CYP2D6
SCHEMBL25446131 0.72 MAPT (0.35) MEN1ALDH1A1KMT2AMAPTSIGMAR1
SCHEMBL15970798 0.71 MAPK8 (0.40) MAPK8ADORA2AADORA2BCASP3MEN1
SCHEMBL17177295 0.71 MAPK8 (0.40) MAPK8ADORA2AADORA2BCASP3ELANE

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
WO-2023240140-A1 INDAZOLE MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023240138-A1 INDAZOLE CONTAINING MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 MAPK8 1498/4885ADORA2A 4298/4885ADORA2B 4282/4885

“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.