SCHEMBL4800720

SCHEMBL4800720

Cc1cc(Oc2nccnc2C)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 14/20 0.41
ALDH1A1 P00352 2/20 0.39
NR4A1 P22736 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 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
SCHEMBL4796557 0.83 ALDH1A1 (0.53) DRD1ALDH1A1NR4A1CYP3A4TSHR
SCHEMBL4800711 0.80 DRD1 (0.39) DRD1MAPT
SCHEMBL4795191 0.79 MEN1 (0.50) ALDH1A1CYP3A4TSHRTDP1NPC1
SCHEMBL486670 0.78 NR4A1 (0.61) ALDH1A1NR4A1CYP3A4TSHRTDP1
SCHEMBL4799084 0.78 TGFBR1 (0.45) DRD1ALDH1A1NR4A1CYP3A4TSHR
SCHEMBL18418112 0.78 MAPT (0.36) DRD1ALDH1A1NR4A1CYP3A4TSHR
SCHEMBL30072633 0.78 TGFBR1 (0.45) DRD1ALDH1A1NR4A1CYP3A4TSHR
SCHEMBL18418120 0.78 KDR (0.38) DRD1ALDH1A1NR4A1CYP3A4TSHR
SCHEMBL4795766 0.77 NR4A1 (0.47) ALDH1A1NR4A1CYP3A4TSHRTDP1
SCHEMBL18957421 0.76 MEN1 (0.56) ALDH1A1NR4A1CYP3A4TSHRTDP1

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 DRD1 3318/4885ALDH1A1 296/4885NR4A1 1904/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 DRD1 2968/4885ALDH1A1 342/4885NR4A1 1568/4885

“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.