SCHEMBL4797887

SCHEMBL4797887

Cc1cncc(Oc2ccc([NH])cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.43
HTT P42858 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
ATM Q13315 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SRC P12931 1/20 0.39
P2RX3 P56373 3/20 0.38
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KLKB1 P03952 1/20 0.34
BRAF P15056 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 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
SCHEMBL2330756 0.82 TEAD4 (0.47) IGF1RHTTMEN1KMT2ANPC1
SCHEMBL12677967 0.81 HTT (0.50) IGF1RHTTMEN1KMT2ANPC1
SCHEMBL4798242 0.80 IGF1R (0.40) IGF1RHTTMEN1KMT2ANPC1
SCHEMBL12245330 0.79 RAB9A (0.50) IGF1RHTTMEN1KMT2ANPC1
SCHEMBL2334140 0.79 IGF1R (0.40) IGF1RHTTMEN1KMT2ANPC1
SCHEMBL31247642 0.78 KDM4E (0.58) IGF1RHTTMEN1KMT2ANPC1
SCHEMBL23292685 0.77 IGF1R (0.50) IGF1RHTTKMT2AHPGDALDH1A1
SCHEMBL4798002 0.77 MEN1 (0.34) IGF1RMEN1KMT2ANPC1RAB9A
SCHEMBL17077631 0.77 RAB9A (0.55) IGF1RKMT2ARAB9AHPGDALDH1A1
SCHEMBL4800349 0.77 BRAF (0.39) IGF1RBRAF

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 IGF1R 235/4885HTT 4431/4885MEN1 1199/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 IGF1R 116/4885HTT 4177/4885MEN1 331/4885

“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.