SCHEMBL3616031

SCHEMBL3616031

COC(=O)c1cnn2cc(OC)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.45
CSK P41240 1/20 0.45
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
EIF4A3 P38919 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PDE2A O00408 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL2059664 0.89 BMP4 (0.47) KMT2ACYP1A2CYP2C19L3MBTL1CA1
SCHEMBL17323234 0.88 LCK (0.46) LCKCSKCYP3A4PKMEIF4A3
SCHEMBL21816255 0.86 KDM4E (0.46) LCKCSKEIF4A3L3MBTL1CA1
SCHEMBL15881990 0.86 MAPT (0.46) LCKCSKALDH1A1KDM4ELMNA
SCHEMBL1325106 0.83 CA12 (0.44) KMT2ACYP1A2CYP2C19CA1CA2
SCHEMBL17321419 0.82 EIF4A3 (0.41) LCKCSKEIF4A3PDE2AALDH1A1
SCHEMBL19997307 0.82 MEN1 (0.43) LCKCSKKMT2AEIF4A3PDE2A
SCHEMBL2059684 0.82 KMT2A (0.42) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL30977391 0.82 EPHB3 (0.56) KMT2AL3MBTL1PDE2AALDH1A1KDM4E
SCHEMBL29585395 0.82 IRAK4 (0.44) KMT2ACYP1A2CYP2C19L3MBTL1MEN1

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
WO-2021179274-A1 ErbB RECEPTOR INHIBITORS AS ANTI-TUMOR AGENTS SUZHOU ZANRONG PHARMA LTD. (CN) 2021-09-16 WO disclosed
US-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US disclosed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed
EP-1972628-A1 Indolizines and aza-analog derivatives thereof as CNS active compounds SCHWARZ PHARMA AG (DE) 2008-09-24 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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS INMT, AANAT, AZI2 LCK 2179/4885CSK 1702/4885KMT2A 654/4885

“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.