SCHEMBL2863534

SCHEMBL2863534

COc1ccc(N2CC(C(=O)c3ccccc3)CC2=O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 5/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL2858045 0.87 TSHR (0.74) TSHRALDH1A1SMN1; SMN2POLBCYP1A2
SCHEMBL2860704 0.85 TSHR (0.60) TSHRHTTPOLBCYP1A2CYP2C19
SCHEMBL2860056 0.84 MET (0.56)
SCHEMBL15404803 0.82 MET (0.42) TSHRALDH1A1HTTSMN1; SMN2POLB
SCHEMBL2856861 0.81 POLB (0.58) POLBMAPTTP53
SCHEMBL2859982 0.80 TSHR (0.53) TSHRALDH1A1SMN1; SMN2POLBCYP1A2
SCHEMBL2860048 0.79 MET (0.53)
SCHEMBL6267110 0.75 TSHR (0.63) TSHRALDH1A1SMN1; SMN2POLBTP53
SCHEMBL2863251 0.75 BPTF (0.49) TSHRPOLBMAPT
SCHEMBL2866307 0.75 BPTF (0.55) TSHRALDH1A1POLBMAPTTP53

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 1963/4885ALDH1A1 95/4885HTT 263/4885

“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.