SCHEMBL1422156

SCHEMBL1422156

COc1ccc(Cn2cnc3c(N)ncnc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 5/20 0.70
ADORA2A P29274 6/20 0.68
PI4KA P42356 4/20 0.68
PI4K2B Q8TCG2 4/20 0.68
PI4K2A Q9BTU6 4/20 0.68
PI4KB Q9UBF8 4/20 0.68
HPGD P15428 1/20 0.62
NSD2 O96028 4/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ADORA1 P30542 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC29A1 Q99808 1/20 0.54
ADORA2B P29275 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL5465357 0.85 HPGD (0.64) NSD3HPGDLMNASMN1; SMN2MEN1
SCHEMBL3642511 0.84 HPGD (0.62) NSD3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL11862441 0.83 ADORA2A (0.60) NSD3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL21788552 0.83 ADORA2A (0.76) NSD3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL29093669 0.83 NSD3 (1.00) NSD3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6659204 0.82 ADORA2A (0.74) NSD3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL14441145 0.82 HPGD (0.60) NSD3ADORA2API4KAPI4K2BPI4K2A
9-Benzyl-9H-Adenine SCHEMBL104932 0.81 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL1980131 0.81 ADORA2A (0.68) NSD3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL13268696 0.80 ADORA2A (0.56) NSD3ADORA2API4KAPI4K2BPI4K2A

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-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENRIFIQUE (CNRS) 2011-06-30 US disclosed
EP-2297075-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION Centre National de la Recherche Scientifique (C.N.R.S) (FR) 2011-03-23 EP disclosed
WO-2009147217-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-12-10 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-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION TUBB4A, TUBA4A, TUBGCP4 NSD3 3003/4885ADORA2A 4740/4885PI4KA 329/4885

“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.