SCHEMBL4800832

SCHEMBL4800832

COc1cc(Oc2cnc(C)cn2)ccc1[NH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
TGFBR1 P36897 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
BRCA1 P38398 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DRD1 P21728 2/20 0.34
AR P10275 3/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL4796032 0.83 KDM4E (0.42) ALDH1A1NPSR1KDM4EMEN1BRCA1
SCHEMBL4800841 0.82 ALDH1A1 (0.51) ALDH1A1NPSR1TSHRTGFBR1KDM4E
SCHEMBL4799493 0.82 TGFBR1 (0.51) ALDH1A1NPSR1TSHRTGFBR1KMT2A
SCHEMBL4796689 0.79 SMN1; SMN2 (0.38) ALDH1A1PDGFRBPDGFRARAB9ANPC1
SCHEMBL4797066 0.79 MAPT (0.49) ALDH1A1KDM4EMEN1KMT2APDGFRB
SCHEMBL4800349 0.78 BRAF (0.39)
SCHEMBL4795225 0.78 MEN1 (0.43) ALDH1A1TSHRTGFBR1MEN1KMT2A
SCHEMBL4798837 0.77 AR (0.39) ALDH1A1TGFBR1MEN1KMT2APDGFRB
SCHEMBL4796270 0.77 MAPT (0.40) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL4797783 0.76 KMT2A (0.40) ALDH1A1NPSR1KDM4EMEN1KMT2A

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-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 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 ALDH1A1 296/4885NPSR1 1509/4885TSHR 2648/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ALDH1A1 342/4885NPSR1 821/4885TSHR 1731/4885

“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.