SCHEMBL4405889

SCHEMBL4405889

CCOc1cc(O)c(F)[c]c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 3/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LARS1 Q9P2J5 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL4551089 0.81 KDM4E (0.41) ALDH1A1TSHRPDE4APDE4BPDE4C
SCHEMBL4543216 0.79 HMGCR (0.40) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL4398114 0.77 KDM4E (0.41) ALDH1A1HPGDTSHRPDE4APDE4B
SCHEMBL9714219 0.71 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL28295059 0.70 L3MBTL1 (0.37) ALDH1A1HPGDTSHRCYP1A2MAPT
SCHEMBL4551033 0.70 HMGCR (0.39) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL4403242 0.70 TSHR (0.41) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL4398918 0.69 MAPT (0.36) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL4414696 0.68 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHPGDTSHR
Hydrazine SCHEMBL28722022 0.68 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
WO-2006038112-A1 USE OF KINASE INHIBITORS TO PROMOTE NEOCHONDROGENESIS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 ALDH1A1 1779/4885MEN1 3786/4885KMT2A 1984/4885

“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.