SCHEMBL4801989

SCHEMBL4801989

COc1cc(Oc2cccnc2)ccc1[NH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP19A1 P11511 4/20 0.54
TGFBR1 P36897 1/20 0.50
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
BRAF P15056 1/20 0.43
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
HTT P42858 1/20 0.42
CYP17A1 P05093 2/20 0.41
LTA4H P09960 1/20 0.41
ALPL P05186 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4130236 0.86 LMNA (0.62) LMNATDP1CYP19A1TGFBR1ALDH1A1
SCHEMBL31089791 0.83 LMNA (0.59) LMNATDP1CYP19A1TGFBR1ALDH1A1
SCHEMBL4801999 0.82 LMNA (0.57) LMNATDP1CYP19A1TGFBR1ALDH1A1
SCHEMBL4799686 0.81 LMNA (0.61) LMNATDP1CYP19A1TGFBR1ALDH1A1
SCHEMBL4796096 0.81 CYP1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL4799493 0.80 TGFBR1 (0.51) TGFBR1ALDH1A1KMT2ATSHR
SCHEMBL4798427 0.80 TGFBR1 (0.37) LMNATDP1CYP19A1TGFBR1ALDH1A1
SCHEMBL433463 0.78 ALDH1A1 (0.58) LMNATDP1CYP19A1TGFBR1ALDH1A1
SCHEMBL426461 0.78 CYP19A1 (0.60) LMNATDP1CYP19A1TGFBR1ALDH1A1
SCHEMBL4131898 0.78 ALDH1A1 (0.54) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2

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-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-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 LMNA 938/4885TDP1 1545/4885CYP19A1 75/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 LMNA 670/4885TDP1 979/4885CYP19A1 62/4885

“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.