SCHEMBL256382

SCHEMBL256382

Cn1ccc2ncncc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 7/20 0.45
RPS6KA4 O75676 3/20 0.45
PIK3CB P42338 1/20 0.39
MAPT P10636 1/20 0.38
EGFR P00533 10/20 0.38
BRD9 Q9H8M2 1/20 0.33

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
SCHEMBL5738350 0.77 RPS6KA5 (0.46) RPS6KA5RPS6KA4EGFR
SCHEMBL7975279 0.76 RPS6KA5 (0.40) RPS6KA5RPS6KA4EGFR
SCHEMBL3262202 0.75 RPS6KA5 (0.53) RPS6KA5RPS6KA4EGFR
SCHEMBL8097276 0.75 RPS6KA5 (0.45) RPS6KA5RPS6KA4EGFR
SCHEMBL12775613 0.75 RPS6KA5 (0.42) RPS6KA5RPS6KA4EGFR
SCHEMBL19250468 0.75 RPS6KA5 (0.42) RPS6KA5RPS6KA4PIK3CBEGFR
SCHEMBL12844573 0.75 RPS6KA5 (0.42) RPS6KA5RPS6KA4EGFR
SCHEMBL30816161 0.73 BRD9 (0.54) EGFRBRD9
SCHEMBL24670232 0.72 PIK3C3 (0.43) RPS6KA5RPS6KA4EGFR
SCHEMBL28835788 0.71 RPS6KA5 (0.42) RPS6KA5RPS6KA4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009013545-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-01-29 WO claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP disclosed
WO-2022263548-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2022-12-22 WO disclosed
EP-4104901-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS Lead Discovery Center GmbH (DE) 2022-12-21 EP disclosed
WO-2021038095-A1 PEPTIDES AND METHODS FOR THE CARBON-CARBON BOND FORMATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-03-04 WO disclosed
EP-3786290-A1 PEPTIDES AND METHODS FOR THE CARBON-CARBON BOND FORMATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-03-03 EP disclosed
WO-2020120420-A1 METHOD FOR PREPARATION OF PRIMARY AMINE COMPOUNDS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-06-18 WO disclosed
US-20190292189-A1 LIM KINASE INHIBITORS VIRONGY, LLC 2019-09-26 US disclosed
WO-2017201187-A1 LIM KINASE INHIBITORS VIRONGY, LLC (US) 2017-11-23 WO disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2003-03-06 US disclosed
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof OSI PHARMACEUTICALS, INC. 2003-02-20 US disclosed
EP-1246623-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-10-09 EP disclosed
WO-2002057267-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2002-07-18 US disclosed
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2002-05-16 US disclosed
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2002-03-07 US disclosed
WO-2001039777-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1 A2A, AND A3 RECEPTORS AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed
EP-1082120-A1 PYRROLO[2,3d]PYRIMIDINE COMPOSITIONS AND THEIR USE OSI Pharmaceuticals, Inc. (US) 2001-03-14 EP disclosed
WO-1999062518-A1 PYRROLO[2,3d]PYRIMIDINE COMPOSITIONS AND THEIR USE OSI PHARMACEUTICALS, INC. (US) 1999-12-09 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 (7 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 RPS6KA5 117/4885RPS6KA4 132/4885PIK3CB 30/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 RPS6KA5 2115/4885RPS6KA4 2283/4885PIK3CB 2377/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 RPS6KA5 2115/4885RPS6KA4 2283/4885PIK3CB 2377/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 RPS6KA5 400/4885RPS6KA4 567/4885PIK3CB 361/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 RPS6KA5 1436/4885RPS6KA4 2081/4885PIK3CB 2099/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 RPS6KA5 2159/4885RPS6KA4 2323/4885PIK3CB 2244/4885
US-20190292189-A1 LIM KINASE INHIBITORS LIMK1, LIMK2, LIMA1 RPS6KA5 946/4885RPS6KA4 748/4885PIK3CB 1296/4885

“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.