SCHEMBL3876308

SCHEMBL3876308

O=C(S)N1CCN(c2ncnc3c2oc2ccccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
ALDH1A1 P00352 6/20 0.70
TSHR P16473 8/20 0.68
HSD17B10 Q99714 8/20 0.68
HTT P42858 6/20 0.68
MAPK1 P28482 6/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
HPGD P15428 3/20 0.68
KDM4E B2RXH2 3/20 0.68
TP53 P04637 2/20 0.68
HRH4 Q9H3N8 1/20 0.68
HCRTR1 O43613 1/20 0.68
LMNA P02545 7/20 0.67
HRH1 P35367 1/20 0.65
SMN1; SMN2 Q16637 6/20 0.63
NPSR1 Q6W5P4 5/20 0.56
GAA P10253 1/20 0.56
KIT P10721 3/20 0.54
PDGFRA P16234 2/20 0.54

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
SCHEMBL3876311 0.84 MAPT (0.73) MAPTALDH1A1TSHRHSD17B10HTT
SCHEMBL13771254 0.83 MAPT (0.68) MAPTALDH1A1TSHRHSD17B10HTT
SCHEMBL606545 0.81 HRH4 (1.00) MAPTALDH1A1TSHRHSD17B10HTT
SCHEMBL615146 0.79 MAPT (0.72) MAPTALDH1A1TSHRHSD17B10HTT
SCHEMBL13771714 0.76 KIT (0.70) MAPTALDH1A1TSHRHSD17B10HTT
SCHEMBL15384142 0.75 KIT (0.72) MAPTALDH1A1TSHRHSD17B10HTT
SCHEMBL22191495 0.74 NPSR1 (0.74) MAPTALDH1A1TSHRHSD17B10HTT
SCHEMBL29436132 0.74 NPSR1 (0.74) MAPTALDH1A1TSHRHSD17B10HTT
SCHEMBL13771287 0.73 KIT (0.77) MAPTALDH1A1TSHRHSD17B10HTT
SCHEMBL22191538 0.71 HSD17B10 (1.00) MAPTALDH1A1TSHRHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999988-B2 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2015-04-07 US disclosed
US-20130302303-A1 PROTEIN KINASE INHIBITORS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2013-11-14 US disclosed
US-8552018-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-10-08 US 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-20050277658-A1 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-12-15 US disclosed
US-20050239793-A1 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-10-27 US disclosed
US-20050239794-A1 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-10-27 US disclosed
US-20050227992-A1 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-10-13 US 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 (8 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 MAPT 4041/4885ALDH1A1 2994/4885TSHR 2097/4885
US-20050227992-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 MAPT 4041/4885ALDH1A1 2994/4885TSHR 2097/4885
US-20050277658-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 MAPT 4041/4885ALDH1A1 2994/4885TSHR 2097/4885
US-20050239794-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 MAPT 4041/4885ALDH1A1 2994/4885TSHR 2097/4885
US-20050239793-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 MAPT 4041/4885ALDH1A1 2994/4885TSHR 2097/4885
US-20130302303-A1 PROTEIN KINASE INHIBITORS CDK2, MAP3K1, MAP3K2 MAPT 4041/4885ALDH1A1 2994/4885TSHR 2097/4885
US-20080051414-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 MAPT 4041/4885ALDH1A1 2994/4885TSHR 2097/4885
US-20090143399-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 MAPT 4041/4885ALDH1A1 2994/4885TSHR 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.