SCHEMBL4697448

SCHEMBL4697448

NCC1CCC(CNC(N)=O)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.83
▸ CYP2D6 P10635 1/20 0.58
▸ PLG P00747 1/20 0.48
▸ PLAT P00750 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TPSAB1 Q15661 2/20 0.45
▸ TPSD1 Q9BZJ3 2/20 0.45
▸ TPSG1 Q9NRR2 2/20 0.45
▸ F10 P00742 8/20 0.43
▸ PRSS1 P07477 6/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ EPHX1 P07099 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MMP1 P03956 1/20 0.37

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
SCHEMBL13999422 1.00 TDP1 (0.83) TDP1CYP2D6PLGPLATLMNA
SCHEMBL2000699 0.91 — —
SCHEMBL2985534 0.83 CYP2D6 (0.81) TDP1CYP2D6PLGPLATLMNA
SCHEMBL3903603 0.83 CYP2D6 (0.81) TDP1CYP2D6PLGPLATLMNA
SCHEMBL7296108 0.82 TDP1 (0.82) TDP1CYP2D6NPC1RAB9AEPHX1
SCHEMBL7296555 0.82 — —
Hydrochloric Acid SCHEMBL4398197 0.81 CYP2D6 (0.79) TDP1CYP2D6PLGPLATLMNA
SCHEMBL10147958 0.81 CYP2D6 (0.56) TDP1CYP2D6PLGPLATLMNA
SCHEMBL14013458 0.81 CYP2D6 (0.56) TDP1CYP2D6PLGPLATLMNA
Hydrochloric Acid SCHEMBL4398375 0.81 CYP2D6 (0.79) TDP1CYP2D6PLGPLATLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 — — US disclosed
EP-1966163-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA Boehringer Ingelheim International GmbH (DE) 2008-09-10 — — EP disclosed
WO-2007076247-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 — — 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-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B TDP1 182/4885CYP2D6 2150/4885PLG 3587/4885

“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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