SCHEMBL26553232

SCHEMBL26553232

COc1cc2c(cc1-c1cnn(C)c1)C(C)CCN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.38
ACVR2A P27037 3/20 0.38
TGFBR2 P37173 2/20 0.38
CHEK2 O96017 1/20 0.37
ABL1 P00519 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
IRAK1 P51617 1/20 0.37
DDR1 Q08345 1/20 0.37
NTRK3 Q16288 1/20 0.37
AURKB Q96GD4 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
USP30 Q70CQ3 4/20 0.37
CREBBP Q92793 2/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
CHEK1 O14757 1/20 0.37
ERN1 O75460 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL29471213 1.00 AAK1 (0.38) AAK1ACVR2ATGFBR2CHEK2ABL1
SCHEMBL17680973 0.80 CREBBP (0.41) CREBBP
SCHEMBL17785682 0.76 AXL (0.42) ABL1IRAK4LOXL2LRRK2
SCHEMBL26553118 0.76 CYP19A1 (0.41) AAK1ACVR2ACHEK2ABL1PDGFRA
SCHEMBL29471280 0.76 CYP19A1 (0.41) AAK1ACVR2ACHEK2ABL1PDGFRA
SCHEMBL29471268 0.74 CHEK1 (0.37) AAK1ACVR2ALOXL2CHEK1ERN1
SCHEMBL30480837 0.74 HTR2C (0.51)
SCHEMBL20571881 0.70 ADRA1A (0.41) IRAK1AURKBIRAK4CREBBP
SCHEMBL20571736 0.70 ADRA1A (0.41) IRAK1AURKBIRAK4CREBBP
SCHEMBL22049114 0.70 ADRA1A (0.41) IRAK1AURKBIRAK4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
EP-4210683-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS Aurigene Oncology Limited (IN) 2023-07-19 EP disclosed
CN-116368128-A Heterocyclic compounds as CBP/EP300 bromodomain inhibitors 奥瑞基尼肿瘤有限公司 2023-06-30 CN disclosed
WO-2022053967-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-17 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-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS EP300, HDAC1, BRD3 AAK1 1456/4885ACVR2A 3459/4885TGFBR2 2012/4885

“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.