SCHEMBL4800529

SCHEMBL4800529

Cc1cc(Oc2ccc(N)c(C)c2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39
TNNI3K Q59H18 1/20 0.39
UHRF1 Q96T88 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RAF1 P04049 5/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4796694 0.83 ALDH1A1 (0.51) KDM4ESMN1; SMN2TDP1CASP3SENP8
SCHEMBL4795754 0.81 SMN1; SMN2 (0.48) KDM4EPOLBSMN1; SMN2TDP1CASP3
SCHEMBL4800515 0.81 SMN1; SMN2 (0.40) KDM4EPOLBSMN1; SMN2TDP1CASP3
SCHEMBL4796040 0.77 KDM4E (0.49) KDM4EPOLBSMN1; SMN2TDP1UHRF1
SCHEMBL4795862 0.77 MAP4K4 (0.41) KDM4EPOLBSMN1; SMN2TDP1ALDH1A1
SCHEMBL4797753 0.77 DRD1 (0.49) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL4794755 0.77 NR4A1 (0.44) KDM4EPOLBSMN1; SMN2TDP1UHRF1
SCHEMBL486670 0.76 NR4A1 (0.61) KDM4EPOLBSMN1; SMN2TDP1ALDH1A1
SCHEMBL4799694 0.75 MEN1 (0.47) KDM4EPOLBSMN1; SMN2TDP1UHRF1
SCHEMBL4795745 0.75 SMN1; SMN2 (0.46) SMN1; SMN2TDP1CASP3SENP8SENP7

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 KDM4E 1815/4885POLB 2514/4885SMN1; SMN2 1107/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 KDM4E 1754/4885POLB 2934/4885SMN1; SMN2 915/4885

“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.