SCHEMBL578293

SCHEMBL578293

Brc1csc(CN2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
HRH3 Q9Y5N1 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP2A13 Q16696 4/20 0.46
NPC1 O15118 1/20 0.43
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CXCR4 P61073 1/20 0.41
MAPT P10636 1/20 0.40
NCF1 P14598 1/20 0.40
CA2 P00918 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
SCHEMBL13322107 0.93 HTT (0.46) HTTHRH3SMN1; SMN2CYP2A13NPC1
SCHEMBL5253470 0.80 GFER (0.47) CYP2C9ALDH1A1KMT2AMAPT
SCHEMBL17213772 0.80 HTT (0.50) HTTHRH3SMN1; SMN2CYP2A13CYP2C9
SCHEMBL5256913 0.80 KDM4E (0.56) ALDH1A1MAPTCA2
SCHEMBL5779419 0.80 SMN1; SMN2 (0.53) HTTHRH3SMN1; SMN2CYP2A13CYP2C9
SCHEMBL12503935 0.77 HTT (0.47) HTTHRH3SMN1; SMN2CYP2A13CYP2C9
SCHEMBL13940652 0.76 GFER (0.44) HRH3CYP2C9ALDH1A1KMT2AMAPT
SCHEMBL5257473 0.76 HTT (0.46) HTTHRH3SMN1; SMN2CYP2A13CYP2C9
SCHEMBL18507173 0.76 HRH3 (0.52) HTTHRH3SMN1; SMN2CYP2A13MAPT
SCHEMBL10211545 0.76 HTT (0.46) HTTHRH3SMN1; SMN2CYP2A13CYP2C9

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2016-02-18 US disclosed
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2016-02-18 US disclosed
US-6399602-B1 ANTICANCER AGENTS ZENECA LIMITED (GB) 2002-06-04 US disclosed
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 US disclosed
EP-0880517-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-01-16 EP disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed
US-5866572-A RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES, TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER. ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0880517-A1 QUINAZOLINE COMPOUNDS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
EP-0880507-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
US-5814630-A USEFUL AS RECEPTOR TYROSINE KINASE INHIBITORS IN THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-09-29 US disclosed
WO-1997030034-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ZENECA LIMITED (GB) 1997-08-21 WO disclosed
WO-1997030044-A1 QUINAZOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-21 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 (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-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HTT 4762/4885HRH3 3367/4885SMN1; SMN2 4639/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 HTT 4762/4885HRH3 3367/4885SMN1; SMN2 4639/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HTT 4762/4885HRH3 3367/4885SMN1; SMN2 4639/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 HTT 3954/4885HRH3 1426/4885SMN1; SMN2 4511/4885

“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.