SCHEMBL4797653

SCHEMBL4797653

Cc1nnccc1Oc1ccc(N)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE7A Q13946 1/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR2A P28223 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
AR P10275 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
NR1I2 O75469 1/20 0.33
TTR P02766 1/20 0.33
PGR P06401 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL4797298 0.84 ALDH1A1 (0.38) CYP3A4TSHRMEN1KMT2ASLC6A4
SCHEMBL4797649 0.82 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3PTGS1PTGS2
SCHEMBL4796216 0.82 MAPT (0.44) CYP3A4TSHRSLC6A4SLC6A2SLC6A3
SCHEMBL4797458 0.79 ADORA2A (0.43) CYP3A4TSHRMEN1KMT2ASLC6A4
SCHEMBL1964539 0.78 CYP3A4 (0.56) CYP3A4TSHRMEN1KMT2APDE7A
SCHEMBL4799889 0.76 TEAD4 (0.47) CYP3A4TSHRMEN1KMT2AHPGD
SCHEMBL4800468 0.75 CYP3A4 (0.43) CYP3A4TSHRMEN1KMT2APDE7A
SCHEMBL9517127 0.74 CYP3A4 (0.52) CYP3A4TSHRMEN1KMT2APDE7A
SCHEMBL4796124 0.74 CYP3A4 (0.37) CYP3A4TSHRMEN1KMT2APDE7A
SCHEMBL12015887 0.74 CYP2C9 (0.32) CYP3A4TSHRSLC6A4SLC6A2SLC6A3

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 12 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
EP-1292591-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2003-03-19 EP claimed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US claimed
WO-2001098277-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2001-12-27 WO 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 CYP3A4 743/4885TSHR 2648/4885MEN1 1199/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 CYP3A4 881/4885TSHR 1731/4885MEN1 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.