SCHEMBL3731273

SCHEMBL3731273

COC(=O)c1sc(-n2cnc3cnccc32)cc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.55
CSF1R P07333 3/20 0.46
KDR P35968 3/20 0.46
NEK2 P51955 3/20 0.46
LIMK1 P53667 3/20 0.46
STK3 Q13188 3/20 0.46
DYRK1A Q13627 3/20 0.46
BRSK1 Q8TDC3 3/20 0.46
PLK3 Q9H4B4 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
MAP4K5 Q9Y4K4 3/20 0.46
PIM1 P11309 2/20 0.46
PKN2 Q16513 2/20 0.46
HIPK4 Q8NE63 2/20 0.46
AURKB Q96GD4 2/20 0.46
MAP4K4 O95819 2/20 0.46
SLK Q9H2G2 2/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46

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
SCHEMBL3731189 0.93 PLK1 (0.55) PLK1CSF1RKDRNEK2LIMK1
SCHEMBL3732566 0.91 PLK1 (0.52) PLK1CSF1RKDRNEK2LIMK1
SCHEMBL3745124 0.90 PLK1 (0.64) PLK1CSF1RKDRNEK2LIMK1
SCHEMBL3738464 0.85 PLK1 (0.66) PLK1CSF1RKDRNEK2LIMK1
SCHEMBL3734993 0.84 PLK1 (0.52) PLK1CSF1RKDRNEK2LIMK1
SCHEMBL3739899 0.83 PLK1 (0.53) PLK1CSF1RKDRNEK2LIMK1
SCHEMBL3729461 0.82 PLK1 (0.64) PLK1CSF1RKDRNEK2LIMK1
SCHEMBL3734908 0.82 PLK1 (0.64) PLK1CSF1RKDRNEK2LIMK1
SCHEMBL3732074 0.82 PLK1 (0.65) PLK1CSF1RKDRNEK2LIMK1
SCHEMBL3736022 0.80 PLK1 (0.61) PLK1CSF1RKDRNEK2LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117915918-A Soluble adenylate cyclase (sAC) inhibitors and uses thereof 康奈尔大学 2024-04-19 CN claimed
US-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA CALIFORNIA, INC. 2014-11-06 US claimed
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-13 US claimed
CN-117915918-A Soluble adenylate cyclase (sAC) inhibitors and uses thereof 康奈尔大学 2024-04-19 CN disclosed
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-27 US disclosed
EP-4110777-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven, K.U.Leuven R&D (BE) 2023-01-04 EP disclosed
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 US disclosed
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2010-11-04 US disclosed
EP-2017277-A1 Thiophene-imidazopyridines 4SC AG (DE) 2009-01-21 EP disclosed
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 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-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD PLK1 161/4885CSF1R 1984/4885KDR 1327/4885
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS SARS1, TPI1, TPMT PLK1 1461/4885CSF1R 3993/4885KDR 2392/4885
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES PIKFYVE, PIP4K2B, PIP5K1B PLK1 642/4885CSF1R 2699/4885KDR 2126/4885
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD PLK1 161/4885CSF1R 1984/4885KDR 1327/4885

“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.