SCHEMBL3930401

SCHEMBL3930401

COC(=O)C=Cc1cc(OC)ncc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 1/20 0.39
FDPS P14324 1/20 0.39
ERN1 O75460 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL3931438 1.00 KMT2A (0.43) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL18613637 0.82 KMT2A (0.43) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL18613639 0.82 KMT2A (0.43) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL29551120 0.82 NNMT (0.50) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL20439701 0.82 NNMT (0.50) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL3785660 0.80 MAPT (0.46) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL3785658 0.80 MAPT (0.46) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL27176728 0.77 ALDH1A1 (0.56) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL2599961 0.76 ERN1 (0.51) KMT2AALDH1A1KDM4EMEN1ERN1
SCHEMBL8343027 0.74 ALDH1A1 (0.36) KMT2AALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 KMT2A 4680/4885ALDH1A1 422/4885KDM4E 3977/4885

“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.