SCHEMBL7218028

SCHEMBL7218028

COC(=O)COc1ccccc1C#N

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
HPGD P15428 1/20 0.76
TSHR P16473 1/20 0.76
SMN1; SMN2 Q16637 4/20 0.65
MAPK1 P28482 1/20 0.65
GAA P10253 1/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
TP53 P04637 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
KDM4E B2RXH2 1/20 0.59
AR P10275 1/20 0.57
NOTUM Q6P988 1/20 0.53
THRB P10828 1/20 0.53
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL6538778 0.85 ALDH1A1 (0.57) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL18702790 0.84 ALDH1A1 (0.60) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL4845134 0.84 ALDH1A1 (0.72) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL13664958 0.83 SMN1; SMN2 (0.64) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL2776017 0.83 ALDH1A1 (0.63) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL10153796 0.83 SMN1; SMN2 (0.72) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL10506317 0.82 SMN1; SMN2 (0.60) ALDH1A1HPGDTSHRSMN1; SMN2NPSR1
SCHEMBL18496531 0.82 NPC1 (0.56) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL1279945 0.81 SMN1; SMN2 (0.63) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL7000350 0.80 RAB9A (0.80) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035622-A1 INHIBITORS OF cGAS ACTIVITY AS THERAPEUTIC AGENTS BELLBROOK LABS, LLC (US) 2024-02-15 WO disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
WO-2020142729-A1 INHIBITORS OF CGAS ACTIVITY AS THERAPEUTIC AGENTS BellBrook Labs (US) 2020-07-09 WO disclosed
EP-2742039-B1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 US disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 US disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 WO disclosed
EP-1678166-B1 PROTEIN KINASE INHIBITORS UNIV ARIZONA (US) 2009-07-29 EP disclosed
US-20090143399-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2009-06-04 US disclosed
US-20090099165-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2009-04-16 US disclosed
US-20080051414-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-28 US disclosed
US-7335662-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-26 US disclosed
US-7326712-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7326713-B2 Substituted tricyclic compound as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7312226-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2007-12-25 US disclosed
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 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 (4 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-20090099165-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 ALDH1A1 2994/4885HPGD 2157/4885TSHR 2097/4885
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE CFTR, H1-10, RECQL ALDH1A1 2189/4885HPGD 3589/4885TSHR 2133/4885
US-20080051414-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 ALDH1A1 2994/4885HPGD 2157/4885TSHR 2097/4885
US-20090143399-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 ALDH1A1 2994/4885HPGD 2157/4885TSHR 2097/4885

“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.