SCHEMBL2858045

SCHEMBL2858045

COc1ccc(N2CC(C(=O)O)CC2=O)cc1F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.74
POLB P06746 1/20 0.58
RECQL P46063 2/20 0.56
GRK2 P25098 1/20 0.55
KMT2A Q03164 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA4 P22748 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
CA5B Q9Y2D0 3/20 0.51
CA6 P23280 2/20 0.51
HPGD P15428 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6267110 0.88 TSHR (0.63) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL2863534 0.87 TSHR (0.56) TSHRPOLBALDH1A1SMN1; SMN2TDP1
SCHEMBL1534159 0.85 TSHR (0.59) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL2859982 0.84 TSHR (0.53) TSHRPOLBRECQLALDH1A1SMN1; SMN2
SCHEMBL8085608 0.84 TSHR (0.78) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL1534237 0.84 TSHR (0.57) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL2858722 0.82 MET (0.55) TSHR
SCHEMBL26603162 0.82 TSHR (0.78) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL2863251 0.80 BPTF (0.49) TSHRPOLB
SCHEMBL5841828 0.80 NPSR1 (0.67) TSHRPOLBRECQLGRK2KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827434-B1 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER AMGEN INC (US) 2014-01-15 EP disclosed
US-7652009-B2 Substituted heterocycles and methods of use AMGEM INC. (US) 2010-01-26 US disclosed
EP-1827434-A2 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER Amgen Inc. (US) 2007-09-05 EP disclosed
US-20060252777-A1 Substituted heterocycles and methods of use AMGEN INC. (US) 2006-11-09 US disclosed
WO-2006060318-A2 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER AMGEN INC. (US) 2006-06-08 WO 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 (1 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-20060252777-A1 Substituted heterocycles and methods of use HGF, HGFAC, MET TSHR 1963/4885POLB 1242/4885RECQL 1564/4885

“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.