SCHEMBL1761004

SCHEMBL1761004

O=C(Nc1nc2c(Cl)ncnc2s1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 1.00
ADORA2A P29274 8/20 1.00
ADORA1 P30542 6/20 1.00
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KDR P35968 1/20 0.47
PLCG2 P16885 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
SCHEMBL31389896 0.82 ADORA2A (0.69) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL29991737 0.82 ADORA1 (0.69) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL8277824 0.75 NPC1 (0.71) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL25252631 0.74 ADORA3 (0.59) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL23561458 0.74 ADORA3 (0.59) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL12021004 0.74 ADORA3 (0.58) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL783675 0.74 ADORA3 (0.57) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL3584915 0.73 ADORA3 (0.58) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL17732540 0.73 NPC1 (0.73) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL23561456 0.73 ADORA3 (0.58) ADORA3ADORA2AADORA1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116921-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2024-04-11 US disclosed
EP-3939981-B1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LIFEARC (GB) 2024-04-03 EP disclosed
EP-4267137-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2023-11-01 EP disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
CN-108495855-B Fused thiazolopyrimidine derivatives as MNK inhibitors 生命弧度公司 2022-05-31 CN disclosed
EP-3939981-A1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LifeArc (GB) 2022-01-19 EP disclosed
EP-3939981-A1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LifeArc (GB) 2022-01-19 EP disclosed
US-11136338-B2 Fused thiazolopyrimidine derivatives as MNKs inhibitors LIFEARC (GB) 2021-10-05 US disclosed
US-11136338-B2 Fused thiazolopyrimidine derivatives as MNKs inhibitors LIFEARC (GB) 2021-10-05 US disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 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 (3 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-20240116921-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, FGFR2, ERBB3 ADORA3 4693/4885ADORA2A 3978/4885ADORA1 4628/4885
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R ADORA3 7/4885ADORA2A 4/4885ADORA1 5/4885
US-11136338-B2 Fused thiazolopyrimidine derivatives as MNKs inhibitors MAPT, TTBK1, TTBK2 ADORA3 4635/4885ADORA2A 4610/4885ADORA1 4398/4885

“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.