SCHEMBL496788

SCHEMBL496788

CC(C)CCc1ccccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.46
KMT2A Q03164 1/20 0.46
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FOLH1 Q04609 1/20 0.41
METAP2 P50579 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DPP4 P27487 1/20 0.39
BRD4 O60885 1/20 0.39
DHODH Q02127 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6207338 0.85 HTT (0.48) HTTIRAK4KMT2AMAP1LC3BMAP1LC3A
SCHEMBL442094 0.84 FOLH1 (0.59) KMT2AMAP1LC3BMAP1LC3AALDH1A1TSHR
SCHEMBL14748129 0.84 ALDH1A1 (0.44) HTTKMT2AMAP1LC3BMAP1LC3AALDH1A1
SCHEMBL1472419 0.83 HTT (0.49) HTTIRAK4KMT2AMAP1LC3BMAP1LC3A
SCHEMBL4735612 0.82 ALDH1A1 (0.54) IRAK4KMT2AALDH1A1TSHRKDM4E
SCHEMBL1450606 0.82 HTT (0.42) HTTIRAK4KMT2AALDH1A1TSHR
SCHEMBL8806250 0.82 HTT (0.46) HTTIRAK4KMT2AMAP1LC3BMAP1LC3A
SCHEMBL1002816 0.81 HTT (0.50) HTTIRAK4KMT2AALDH1A1TSHR
SCHEMBL334956 0.79 KMT2A (0.47) HTTIRAK4KMT2AALDH1A1TSHR
SCHEMBL23259449 0.79 ALDH1A1 (0.64) HTTKMT2AMAP1LC3BMAP1LC3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167556-A Thio-hydantoin androgen receptor antagonist for treating cancer 詹森药业有限公司 2019-08-23 CN claimed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP claimed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO claimed
WO-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 WO claimed
CN-119504643-A 3- (2-Aminobenzo [ d ] thiazol-5-yl) benzamide derivative and preparation method and application thereof 贵州省天然产物研究中心 2025-02-25 CN disclosed
CN-110167556-A Thio-hydantoin androgen receptor antagonist for treating cancer 詹森药业有限公司 2019-08-23 CN disclosed
CN-109640986-A Thio-hydantoin androgen receptor antagonists for treating cancer 詹森药业有限公司 2019-04-16 CN disclosed
US-8106069-B2 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-01-31 US disclosed
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
US-20100210476-A1 Pyrrolo[2,3-b]Pyridine Derivatives Active as Kinase Inhibitors and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2010-08-19 US disclosed
US-7728140-B2 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2010-06-01 US disclosed
EP-1701956-B1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-02-24 EP disclosed
EP-1701956-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Italia S.r.l. (IT) 2006-09-20 EP disclosed
US-20050256151-A1 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-11-17 US disclosed
WO-2005063746-A1 PYRROLO[2,3-b]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA S.R.L. (IT) 2005-07-14 WO disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 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-20100210476-A1 Pyrrolo[2,3-b]Pyridine Derivatives Active as Kinase Inhibitors and Pharmaceutical Compositions Comprising Them MAP3K6, MAP3K3, MAP3K1 HTT 1782/4885IRAK4 361/4885KMT2A 1717/4885
US-20050256151-A1 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K6, MAP3K3, MAP3K1 HTT 1714/4885IRAK4 453/4885KMT2A 1599/4885

“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.