SCHEMBL10249353

SCHEMBL10249353

Cc1nc2c(c(N[C@H]3CCC(=O)N(C)C3)n1)SCC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ HTT P42858 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ PKM P14618 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 2/20 0.30
▸ PDE7A Q13946 1/20 0.30
▸ PDE11A Q9HCR9 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10266156 1.00 IL1B (0.38) IL1BTDP1PIM1PIM2SMN1; SMN2
SCHEMBL4071388 0.87 TDP1 (0.36) IL1BTDP1PIM1PIM2SMN1; SMN2
SCHEMBL516223 0.87 TDP1 (0.36) IL1BTDP1PIM1PIM2SMN1; SMN2
SCHEMBL195122 0.87 TDP1 (0.36) IL1BTDP1PIM1PIM2SMN1; SMN2
SCHEMBL10266291 0.75 PIK3CA (0.37) ALDH1A1MAPK1PDE7AKMT2A
SCHEMBL4074985 0.74 IL1B (0.37) IL1BPIM1PIM2
SCHEMBL4078144 0.74 IL1B (0.37) IL1BPIM1PIM2
SCHEMBL15976821 0.73 SCN9A (0.35) IL1BPIM1PIM2
SCHEMBL8056169 0.72 SYK (0.35) IL1BALDH1A1POLBMAPK1HSD17B10
SCHEMBL15976836 0.72 GPR119 (0.35) —

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
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
US-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — US disclosed
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — 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 (4 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-20120035143-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PDE4A, PDE12, PDE3B IL1B 1061/4885TDP1 1066/4885PIM1 2445/4885
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 IL1B 792/4885TDP1 1008/4885PIM1 1120/4885
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, DPM1, DDX41 IL1B 478/4885TDP1 499/4885PIM1 638/4885
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE3B IL1B 1313/4885TDP1 2175/4885PIM1 2793/4885

“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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