SCHEMBL4800841

SCHEMBL4800841

COc1cc(Oc2cnc(C)cn2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
CYP3A4 P08684 3/20 0.51
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 2/20 0.36
TGFBR1 P36897 1/20 0.36
APP P05067 2/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL4796040 0.83 KDM4E (0.49) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL4800832 0.82 ALDH1A1 (0.38) ALDH1A1CYP3A4HSD17B10TSHRKDM4E
SCHEMBL4799499 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL12594101 0.81 KDM4E (0.64) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL4796694 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL4797071 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL4800359 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL4795232 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL4798840 0.77 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL272888 0.77 ALDH1A1 (0.76) ALDH1A1CYP3A4HSD17B10TSHRTDP1

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
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US claimed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP claimed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US claimed
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US disclosed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US disclosed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP disclosed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 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-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ALDH1A1 296/4885CYP3A4 743/4885HSD17B10 687/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ALDH1A1 342/4885CYP3A4 881/4885HSD17B10 1196/4885

“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.