SCHEMBL3868451

SCHEMBL3868451

OC(=S)N1CCN(c2ncnc3c2sc2ncccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.67
KIT P10721 2/20 0.61
HRH4 Q9H3N8 1/20 0.51
CLK1 P49759 3/20 0.49
CDC7 O00311 1/20 0.49
LIMK1 P53667 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
HTR2C P28335 1/20 0.46
PRKCI P41743 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
EGFR P00533 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
P2RY12 Q9H244 1/20 0.41
AXL P30530 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
SCHEMBL3868449 0.85 PIK3CA (0.66) PIK3CAKITHRH4CLK1CDC7
SCHEMBL2392391 0.81 PIK3CA (0.73) PIK3CAKITHRH4CLK1CDC7
SCHEMBL19805187 0.80 PIK3CA (0.59) PIK3CAKITHRH4CLK1CDC7
SCHEMBL13771452 0.80 KIT (0.76) PIK3CAKIT
SCHEMBL2390788 0.77 KIT (1.00) PIK3CAKITCLK1ALDH1A1MAPT
SCHEMBL3876311 0.69 MAPT (0.73) KITHRH4ALDH1A1KDM4EMAPK1
SCHEMBL19805135 0.68 KIT (0.58) KITHRH4LIMK1ALDH1A1KDM4E
SCHEMBL16281249 0.67 CLK1 (0.67) PIK3CACLK1CDC7LIMK1DBF4
SCHEMBL9042411 0.67 CLK1 (0.67) PIK3CACLK1CDC7LIMK1DBF4
SCHEMBL30187948 0.67 CLK1 (1.00) PIK3CACLK1CDC7LIMK1DBF4

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
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
EP-1678166-A2 PROTEIN KINASE INHIBITORS Arizona Board of Regents on behalf of The University of Arizona (US) 2006-07-12 EP 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
WO-2005037825-A2 PROTEIN KINASE INHIBITORS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-04-28 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 (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 PIK3CA 206/4885KIT 1558/4885HRH4 4306/4885
US-20050227992-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885KIT 1558/4885HRH4 4306/4885
US-20050277658-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885KIT 1558/4885HRH4 4306/4885
US-20050239794-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885KIT 1558/4885HRH4 4306/4885
US-20050239793-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885KIT 1558/4885HRH4 4306/4885
US-20130302303-A1 PROTEIN KINASE INHIBITORS CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885KIT 1558/4885HRH4 4306/4885
US-20080051414-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885KIT 1558/4885HRH4 4306/4885
US-20090143399-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885KIT 1558/4885HRH4 4306/4885

“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.