SCHEMBL9936651

SCHEMBL9936651

CCOC(=O)Cc1c[nH]c2cccc(F)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
FFAR1 O14842 1/20 0.55
GPR84 Q9NQS5 1/20 0.55
HTR2A P28223 4/20 0.51
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46

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
SCHEMBL15141634 0.87 HTR2A (0.56) PKMFFAR1GPR84HTR2AHTR2C
SCHEMBL5177500 0.85 PKM (0.68) PKMHTR2AHTR2CHTR2BTDP1
SCHEMBL6604411 0.84 PKM (0.63) PKMGPR84TDP1SMN1; SMN2CYP1A2
SCHEMBL8914837 0.84 PKM (0.63) PKMGPR84TDP1SMN1; SMN2CYP1A2
SCHEMBL4206980 0.81 GPR84 (0.63) FFAR1GPR84HTR2AHTR2CHTR2B
SCHEMBL9662401 0.81 PKM (0.56) PKMHTR2AHTR2CHTR2BTDP1
SCHEMBL4206904 0.80 ALDH1A1 (0.69) FFAR1GPR84HTR2AHTR2CHTR2B
SCHEMBL261412 0.80 PKM (0.61) PKMTDP1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL25538312 0.79 GPR84 (0.73) FFAR1GPR84HTR2AHTR2CHTR2B
SCHEMBL1971618 0.79 GAA (0.70) FFAR1GPR84HTR2AHTR2CHTR2B

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
CN-105593211-B Indole and indazole derivatives 豪夫迈·罗氏有限公司 2021-07-27 CN disclosed
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
EP-3049391-A1 INDOL AND INDAZOL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-08-03 EP disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
WO-2015044072-A1 INDOL AND INDAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-04-02 WO disclosed
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 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 (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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 PKM 2627/4885FFAR1 3638/4885GPR84 3715/4885
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES CHRNA7, CHRM1, CHRNA3 PKM 3914/4885FFAR1 1269/4885GPR84 997/4885

“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.