SCHEMBL6085651

SCHEMBL6085651

Cc1cnc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3cc(F)ccc23)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.51
PDE4B Q07343 4/20 0.51
PDE4C Q08493 4/20 0.51
PDE4D Q08499 4/20 0.51
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
MEN1 O00255 2/20 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
SCHEMBL6086070 0.86 RAB9A (0.52) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL6087653 0.84 TUBB4A (0.52) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL6085730 0.77 TUBB4A (0.50) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL1607827 0.76 RAB9A (0.45) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6086436 0.75 POLB (0.53) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL6192355 0.74 TUBB4A (0.46) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL5637675 0.73 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL4088403 0.72 TUBB4A (0.63) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL3006271 0.71 TUBB4A (0.49) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL6087262 0.71 TUBB4A (0.52) PDE4APDE4BPDE4CPDE4DTUBB4A

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-6987122-B2 2-(1H-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2006-01-17 US disclosed
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2004-02-12 US disclosed
EP-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 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 (1 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-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity IDO1, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PDE4A 2714/4885PDE4B 2916/4885PDE4C 3320/4885

“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.