SCHEMBL4796167

SCHEMBL4796167

Cc1cc([NH])ccc1Oc1cccnc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TGFBR1 P36897 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
GCK P35557 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL4797448 0.84 GRM2 (0.42) MAP4K4ADORA2AADORA1TGFBR1GAA
SCHEMBL4799275 0.84 TGFBR1 (0.44) MAP4K4ADORA2AADORA1TGFBR1GAA
SCHEMBL4796174 0.81 MAP4K4 (0.47) MAP4K4CHRNB2CHRNA4ADORA2AADORA1
SCHEMBL6545410 0.80 ADORA2A (0.50) MAP4K4CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL4800340 0.80 GAA (0.38) GAAPOLBCYP3A4CYP2C19CYP1A2
SCHEMBL13928137 0.79 KDM4E (0.44) MAP4K4ADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL4796319 0.78 TGFBR1 (0.43) MAP4K4CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL4797294 0.77 SLC6A2 (0.33) GAA
SCHEMBL4796538 0.77 KDM4E (0.47) MAP4K4ALDH1A1KDM4ESMN1; SMN2BRD4
SCHEMBL4797413 0.76 CYP1A2 (0.33) POLBCYP3A4CYP2C19CYP1A2

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 MAP4K4 2125/4885CHRNB2 4829/4885CHRNA4 4809/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 MAP4K4 2447/4885CHRNB2 4735/4885CHRNA4 4741/4885

“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.