SCHEMBL12804489

SCHEMBL12804489

Cc1nc(Cl)nc2cc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.41
▸ AHR P35869 1/20 0.35
▸ KDR P35968 2/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35
▸ TUBB6 Q9BUF5 1/20 0.35
▸ TUBB2B Q9BVA1 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.35
▸ TNF P01375 1/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL13780007 0.79 KDR (0.46) DYRK1AKDRTUBB4ATUBBTUBA3C
SCHEMBL1674225 0.79 DYRK1A (0.53) DYRK1AAHRKDRTUBB4ATUBB
SCHEMBL20674569 0.76 KDR (0.35) DYRK1AKDRTUBB4ATUBBTUBA3C
SCHEMBL4838737 0.76 DYRK1A (0.41) DYRK1AAHRTNFRIPK1CD38
SCHEMBL4838531 0.76 DYRK1A (0.41) DYRK1AAHRTNFRIPK1KDM4E
SCHEMBL18194341 0.76 XDH (0.51) DYRK1AAHRCD38ADORA2A
SCHEMBL22693058 0.73 KDM4E (0.34) DYRK1AKDRTUBB4ATUBBTUBA3C
SCHEMBL16478438 0.73 ADORA2A (0.36) DYRK1AKDRTUBB4ATUBBTUBA3C
SCHEMBL10256125 0.72 DYRK1A (0.50) DYRK1AAHRKDRTUBB4ATUBB
SCHEMBL14641706 0.72 DYRK1A (0.38) DYRK1AAHRTNFRIPK1CD38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182481-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. 2024-06-06 — — US disclosed
EP-4291559-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER Tango Therapeutics, Inc. (US) 2023-12-20 — — EP disclosed
WO-2022174184-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2022-08-18 — — WO disclosed
US-20110092499-A1 N-CONTAINING HETEROCYCLIC COMPOUNDS YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-04-21 — — 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 (2 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-20240182481-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER DPYD, TYMS, TYMP DYRK1A 1401/4885AHR 972/4885KDR 1617/4885
US-20110092499-A1 N-CONTAINING HETEROCYCLIC COMPOUNDS JAK2, JAK3, JAK1 DYRK1A 447/4885AHR 557/4885KDR 1228/4885

“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.

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