SCHEMBL4800899

SCHEMBL4800899

COc1cc(N)ccc1Oc1ccc(C)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 2/20 0.45
NR4A1 P22736 1/20 0.44
ALDH1A1 P00352 7/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 2/20 0.38
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
CYP3A4 P08684 1/20 0.36
ACHE P22303 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
SCHEMBL4799897 0.84 MEN1 (0.49) KDM4EMAPTGAANR4A1ALDH1A1
SCHEMBL4800882 0.81 ALDH1A1 (0.39) MAPTALDH1A1LMNAHTTTSHR
SCHEMBL4798031 0.81 CYP3A4 (0.42) KDM4EALDH1A1LMNAHTTTSHR
SCHEMBL17460296 0.78 ALDH1A1 (0.58) KDM4EMAPTALDH1A1LMNAHTT
SCHEMBL4794804 0.77 MAPT (0.47) KDM4EMAPTGAANR4A1ALDH1A1
SCHEMBL4797168 0.77 MAPT (0.44) KDM4EMAPTGAANR4A1ALDH1A1
SCHEMBL4797954 0.77 KDM4E (0.47) KDM4EMAPTGAANR4A1ALDH1A1
SCHEMBL4799471 0.77 KDM4E (0.44) KDM4EMAPTGAANR4A1ALDH1A1
SCHEMBL4798226 0.76 MAPT (0.43) KDM4EMAPTGAANR4A1ALDH1A1
SCHEMBL4795232 0.74 ALDH1A1 (0.53) KDM4EMAPTNR4A1ALDH1A1HTT

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 10 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-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 KDM4E 1815/4885MAPT 4429/4885GAA 1202/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 KDM4E 1754/4885MAPT 4353/4885GAA 1915/4885

“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.