SCHEMBL4798259

SCHEMBL4798259

COc1cc(Oc2ccnc(C)c2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 2/20 0.54
DYRK1A Q13627 2/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TGFBR1 P36897 2/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
KDR P35968 1/20 0.41
NR4A1 P22736 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
AR P10275 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
SCHEMBL4321289 0.86 NOS3 (0.61) ALDH1A1CYP3A4DYRK1ATSHRHSD17B10
SCHEMBL23999891 0.83 NR4A1 (0.61) ALDH1A1CYP3A4DYRK1AHSD17B10TDP1
SCHEMBL28904878 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4DYRK1ATSHRHSD17B10
SCHEMBL272888 0.83 ALDH1A1 (0.76) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL4796105 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL4794755 0.82 NR4A1 (0.44) ALDH1A1CYP3A4DYRK1ATSHRHSD17B10
SCHEMBL4798250 0.81 DYRK1A (0.45) ALDH1A1DYRK1ATGFBR1PDGFRBPDGFRA
SCHEMBL4799499 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL30368 0.79 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL29764021 0.79 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US claimed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US claimed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 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-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 743/4885DYRK1A 4214/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ALDH1A1 342/4885CYP3A4 881/4885DYRK1A 3580/4885

“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.