SCHEMBL4078144

SCHEMBL4078144

Cc1nc2c(c(N[C@H]3CCC(=O)N(C)C3)n1)[S+]([O-])CC2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 1/20 0.37
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL4074985 1.00 IL1B (0.37) IL1BPIM1PIM2
SCHEMBL31491349 0.88 IL1B (0.35) IL1BPIM1PIM2
SCHEMBL516879 0.88 IL1B (0.35) IL1BPIM1PIM2
SCHEMBL590224 0.88 IL1B (0.35) IL1BPIM1PIM2
SCHEMBL8058366 0.83 IL1B (0.38) IL1BPIM1PIM2
SCHEMBL8047905 0.79 GPR119 (0.32) —
SCHEMBL12887360 0.79 IL1B (0.37) IL1BPIM1PIM2
SCHEMBL12892580 0.79 IL1B (0.32) IL1BPIM1PIM2
SCHEMBL10283466 0.79 PDE4D (0.34) IL1BPIM1PIM2
SCHEMBL12879556 0.79 IL1B (0.32) IL1BPIM1PIM2

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
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — 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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT IL1B 98/4885PIM1 3532/4885PIM2 3914/4885
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PDE4A, PDE12, PDE3B IL1B 1061/4885PIM1 2445/4885PIM2 2647/4885

“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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