SCHEMBL3365341

SCHEMBL3365341

COC(=O)Nc1nc(NC(=O)OC(C)C)nc(NC(=O)OC(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
CYP1A2 P05177 2/20 0.47
NPC1 O15118 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42

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
SCHEMBL3366856 1.00 HPGD (0.47) HPGDCYP1A2NPC1CYP2D6CYP2C9
SCHEMBL3365555 0.94 HPGD (0.47) HPGDCYP1A2NPC1CYP2D6CYP2C9
SCHEMBL2910688 0.85 LMNA (0.47) HPGDCYP1A2SMN1; SMN2KDM4EALOX15
SCHEMBL7713270 0.80 CYP1A2 (0.62) HPGDCYP1A2NPC1CYP2D6CYP2C9
SCHEMBL7245073 0.74 TUBB4A (0.43) RAB9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL24268019 0.73 TSHR (0.43) HPGDCYP1A2NPC1CYP2D6CYP2C9
SCHEMBL3759813 0.72 POLB (0.60) CYP1A2SMN1; SMN2KDM4EGAALMNA
SCHEMBL3367290 0.72 KMT2A (0.49) HPGDCYP1A2NPC1CYP2C9CYP2C19
SCHEMBL3364492 0.72 KMT2A (0.49) HPGDCYP1A2NPC1CYP2C9CYP2C19
SCHEMBL11795614 0.71 POLB (0.41) HPGDCYP1A2NPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440065-B1 METHOD FOR PREPARING ALKOXYCARBONYLAMINO-TRIAZINES BASF SE (DE) 2010-10-06 EP disclosed
US-7371856-B2 Preparation of alkoxycarbonylaminotriazines BASF AKTIENGESELLSCHAFT (DE) 2008-05-13 US disclosed
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-7169923-B2 Method for preparing alkoxycarbonylamino-triazines BASF AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
US-20040249149-A1 Method for preparing alkoxycarbonylamino-triazines BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 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-20040249149-A1 Method for preparing alkoxycarbonylamino-triazines ADH1C, PNMT, TET2 HPGD 2341/4885CYP1A2 200/4885NPC1 4123/4885
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines ADH1C, TET2, PNMT HPGD 3155/4885CYP1A2 259/4885NPC1 4355/4885

“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.