SCHEMBL20620221

SCHEMBL20620221

Cc1cc(-c2c[nH]c3ccccc23)nc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 2/20 0.61
▸ CDK5 Q00535 2/20 0.61
▸ CDK5R1 Q15078 2/20 0.61
▸ GSK3B P49841 1/20 0.61
▸ DYRK1A Q13627 1/20 0.61
▸ MAP3K14 Q99558 1/20 0.61
▸ TUBB4A P04350 1/20 0.58
▸ TUBB P07437 1/20 0.58
▸ TUBA3C P0DPH7 1/20 0.58
▸ TUBA1B P68363 1/20 0.58
▸ TUBA4A P68366 1/20 0.58
▸ TUBB4B P68371 1/20 0.58
▸ TUBB3 Q13509 1/20 0.58
▸ TUBB2A Q13885 1/20 0.58
▸ TUBB8 Q3ZCM7 1/20 0.58
▸ TUBA3E Q6PEY2 1/20 0.58
▸ TUBA1A Q71U36 1/20 0.58
▸ TUBA1C Q9BQE3 1/20 0.58
▸ TUBB6 Q9BUF5 1/20 0.58
▸ TUBB2B Q9BVA1 1/20 0.58

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
SCHEMBL15757369 0.82 CDK5 (0.57) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL5748112 0.81 DHFR (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9827717 0.80 TUBB4A (0.55) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL9828519 0.79 MAPT (0.55) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL1603553 0.79 DYRK1A (0.72) CDK5CDK5R1GSK3BDYRK1APDPK1
SCHEMBL9829715 0.76 TUBB4A (0.53) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL573402 0.76 GSK3B (1.00) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL29488162 0.76 GSK3B (1.00) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL5748018 0.75 HSP90AA1 (0.56) DHFRALDH1A1HSD17B10HSP90AA1AURKA
SCHEMBL5749014 0.75 HSP90AA1 (0.58) KDM4EHSP90AA1AURKAPDPK1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 — — US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 — — 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-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT CLK1 3904/4885CDK5 3917/4885CDK5R1 3117/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT CLK1 3904/4885CDK5 3917/4885CDK5R1 3117/4885

“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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