SCHEMBL6401477

SCHEMBL6401477

C=CCn1ccc2cc[c]cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
SLC2A1 P11166 1/20 0.38
CDK4 P11802 4/20 0.36
CCND1 P24385 4/20 0.36
EGFR P00533 1/20 0.33
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL6400236 0.86 KMT2A (0.39) KMT2AMEN1MAPTSLC2A1CDK4
SCHEMBL1450339 0.77 CDK4 (0.41) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL6183003 0.77 CDK4 (0.41) CDK4CCND1EGFRHTR2AHTR2C
SCHEMBL2365253 0.77 CDK4 (0.35) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL5042221 0.75 CDK4 (0.44) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL3394303 0.74 CDK4 (0.67) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL29376741 0.74 CDK4 (0.67) KMT2AMEN1MAPTCDK4CCND1
SCHEMBL1451115 0.73 HTR2C (0.61) CDK4CCND1HTR2AHTR2C
SCHEMBL13726782 0.73 CDK4 (0.38) KMT2AMEN1CDK4CCND1HTR2A
Hydrochloric Acid SCHEMBL28421887 0.73 CDK4 (0.64) KMT2AMEN1MAPTCDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702043-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE Exelixis, Inc. (US) 2014-03-05 EP claimed
WO-2012149528-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE EXELIXIS, INC. (US) 2012-11-01 WO claimed
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 US claimed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed
EP-2702043-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE Exelixis, Inc. (US) 2014-03-05 EP disclosed
WO-2012149528-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE EXELIXIS, INC. (US) 2012-11-01 WO disclosed
US-6887904-B2 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-05-03 US disclosed
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR KMT2A 877/4885MEN1 2077/4885MAPT 4538/4885

“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.