SCHEMBL2035795

SCHEMBL2035795

COC(=O)c1c[nH]c2cccc(F)c12

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.68
CREBBP Q92793 1/20 0.58
FFAR1 O14842 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
MAP2K1 Q02750 1/20 0.43
HTR2A P28223 2/20 0.43
ALB P02768 1/20 0.42
IL2 P60568 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL28046327 0.84 NR4A2 (0.49) NR4A2CREBBPFFAR1GPR84HTR2A
SCHEMBL9937305 0.83 NR4A2 (0.70) NR4A2CREBBPGPR84MAP2K1
SCHEMBL16234666 0.82 PBRM1 (0.54) NR4A2CREBBPFFAR1GPR84HTR2A
SCHEMBL26250363 0.81 NR4A2 (0.68) NR4A2CREBBPMAP2K1MAPT
SCHEMBL5329797 0.81 NR4A2 (0.68) NR4A2CREBBPHTR2AHTR2CHTR2B
SCHEMBL3554889 0.81 NR4A2 (0.68) NR4A2CREBBPMAP2K1
SCHEMBL9937058 0.81 NR4A2 (1.00) NR4A2CREBBPGPR84MAP2K1
SCHEMBL2034897 0.80 GPR84 (0.51) NR4A2FFAR1GPR84HTR2AALB
SCHEMBL10083723 0.79 HTR2A (0.47) NR4A2FFAR1GPR84HTR2AALB
SCHEMBL23160620 0.79 GPR84 (0.50) NR4A2FFAR1GPR84HTR2AALB

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 19 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
CN-105593211-A Indol and indazol derivatives HOFFMANN LA ROCHE 2016-05-18 CN 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
CN-103347874-A Dimeric iap inhibitors NOVARTIS AG 2013-10-09 CN disclosed
CN-102770425-A Indolyl-piperidinylbenzylamines as beta-tryptase inhibitors SANOFI SA 2012-11-07 CN disclosed
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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 (3 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 NR4A2 3995/4885CREBBP 3960/4885FFAR1 3638/4885
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 NR4A2 3953/4885CREBBP 2114/4885FFAR1 2143/4885
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES CHRNA7, CHRM1, CHRNA3 NR4A2 135/4885CREBBP 3182/4885FFAR1 1269/4885

“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.