SCHEMBL24399377

SCHEMBL24399377

COCOC(C)/N=C\C=C(/C)N1CCCN(c2ccc(C(=O)N(C)CCCO)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.33
MAP4K1 Q92918 1/20 0.33
MAPT P10636 3/20 0.33
RORC P51449 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
DRD4 P21917 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
GRIA2 P42262 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29266142 0.76 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTHRH3DRD4
SCHEMBL22291069 0.70 TMEM97 (0.46) KMT2AMAPTKDM4EHRH3MEN1
SCHEMBL22291101 0.67 ALDH1A1 (0.45) ALDH1A1TSHRCYP2D6
SCHEMBL22291198 0.65 CDK8 (0.42) ALDH1A1MAP4K1DRD4CYP2D6CYP2C9
SCHEMBL22291202 0.61 CDK8 (0.50) ALDH1A1MAP4K1MAPTKDM4EHRH3
SCHEMBL30988055 0.61 CDK8 (0.50) ALDH1A1MAP4K1MAPTKDM4EHRH3
SCHEMBL5237445 0.59 CDK8 (0.49) ALDH1A1KMT2AMAPTMEN1CYP2D6
SCHEMBL21750394 0.57 MAPT (0.56) ALDH1A1KMT2AMAPTMEN1
SCHEMBL25417126 0.57 ALDH1A1 (0.43) ALDH1A1MAPTTSHR
SCHEMBL5239282 0.56 TMEM97 (0.52) KMT2AMAPTKDM4EHRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy UNIVERSITY OF SOUTH CAROLINA (US) 2023-02-07 US disclosed
US-20220135583-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA 2022-05-05 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 (2 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-20220135583-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY DPYD, TK2, TYMP ALDH1A1 853/4885KMT2A 1430/4885MAP4K1 1630/4885
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy DPYD, TK2, TYMP ALDH1A1 853/4885KMT2A 1430/4885MAP4K1 1630/4885

“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.