SCHEMBL10246884

SCHEMBL10246884

Cc1nc2c(c(Nc3cccc(F)c3)n1)SCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PDE4B Q07343 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ EGFR P00533 2/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ ABL2 P42684 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ABCG2 Q9UNQ0 4/20 0.39
▸ KDR P35968 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ FADS1 O60427 1/20 0.38

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
SCHEMBL375687 0.85 PDE4B (0.44) KMT2APDE4BPDE4DEGFRABL1
SCHEMBL19624259 0.75 NFKB1 (0.51) EGFRABL1ABL2ALDH1A1SMN1; SMN2
SCHEMBL31469077 0.70 SYK (0.41) MEN1KMT2AEGFRSMN1; SMN2ABCG2
SCHEMBL31083985 0.67 MAPK1 (0.49) MEN1KMT2APDE4BPDE4DABL1
SCHEMBL3938216 0.67 RHOA (0.46) MEN1KMT2APDE4BPDE4DEGFR
SCHEMBL16146124 0.67 BRAF (0.51) MEN1KMT2AEGFRABL1ABL2
SCHEMBL30754754 0.66 LMNA (0.60) EGFRABL1ABL2RAPGEF4ALDH1A1
SCHEMBL13437898 0.66 MEN1 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL16146126 0.66 BRAF (0.73) SMN1; SMN2RAB9AMAPK1HTT
SCHEMBL30523443 0.66 BRAF (0.73) SMN1; SMN2RAB9AMAPK1HTT

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-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
US-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 — — US disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — 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-20110046096-A1 NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES DPYD, PRDX5, PRDX1 MEN1 3573/4885KMT2A 3479/4885PDE4B 2774/4885
US-20100305102-A1 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES SULT2A1, DPYD, HRH2 MEN1 2807/4885KMT2A 3003/4885PDE4B 4057/4885
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, DPM1, DDX41 MEN1 2625/4885KMT2A 3487/4885PDE4B 3133/4885
US-20120028932-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE3B MEN1 3961/4885KMT2A 3570/4885PDE4B 7/4885

“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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