SCHEMBL4796689

SCHEMBL4796689

COc1cc(Oc2cc(C)ncn2)ccc1[NH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KDR P35968 3/20 0.37
BRAF P15056 1/20 0.37
MAPK14 Q16539 1/20 0.37
TNNI3K Q59H18 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
RAF1 P04049 1/20 0.34
DYRK1A Q13627 1/20 0.33
KMO O15229 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 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
SCHEMBL4800515 0.83 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDRBRAFMAPK14
SCHEMBL4796694 0.82 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDRBRAFMAPK14
SCHEMBL4800832 0.79 ALDH1A1 (0.38) ALDH1A1PDGFRBPDGFRACA12CA1
SCHEMBL4796270 0.79 MAPT (0.40) ARRAB9ANPC1CYP1A2CYP2C9
SCHEMBL4798250 0.79 DYRK1A (0.45) SMN1; SMN2ALDH1A1PDGFRBPDGFRADYRK1A
SCHEMBL4795745 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDRBRAFMAPK14
SCHEMBL4799679 0.78 RAB9A (0.43) SMN1; SMN2ALDH1A1PDGFRBPDGFRADRD1
SCHEMBL4795225 0.78 MEN1 (0.43) SMN1; SMN2ALDH1A1PDGFRBPDGFRACA12
SCHEMBL4799493 0.76 TGFBR1 (0.51) ALDH1A1PDGFRBPDGFRACA12CA1
SCHEMBL4799402 0.75 PDGFRB (0.40) SMN1; SMN2ALDH1A1KDRPDGFRBPDGFRA

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 10 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-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 SMN1; SMN2 1107/4885ALDH1A1 296/4885KDR 1093/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 SMN1; SMN2 915/4885ALDH1A1 342/4885KDR 678/4885

“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.