SCHEMBL4075744

SCHEMBL4075744

O=Nc1ccc(N2CCN(c3nc4c(c(Nc5cccc(Cl)c5)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ CAMK2A Q9UQM7 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL10265994 0.90 L3MBTL1 (0.44) LMNAJAK3MAPTSMN1; SMN2SRC
SCHEMBL4063860 0.89 LMNA (0.45) LMNAPIK3CAMTORJAK3NTRK2
SCHEMBL2912346 0.89 ABL1 (0.41) LMNAPIK3CAMTORJAK3NTRK2
SCHEMBL590220 0.87 EGFR (0.41) ALDH1A1MAPTSMN1; SMN2SRCMEN1
SCHEMBL588907 0.87 MEN1 (0.42) LMNAMEN1KMT2ANPC1RAB9A
Trifluoroacetic Acid SCHEMBL589894 0.83 C1S (0.42) LMNAPIK3CAMTORJAK3NTRK2
SCHEMBL590116 0.82 MAPT (0.43) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL8516432 0.81 HTR2C (0.38) NTRK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL589895 0.79 NPC1 (0.41) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL589591 0.79 JAK2 (0.42) LMNAMEN1KMT2ASCN9ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
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

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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT LMNA 4713/4885PIK3CA 1699/4885MTOR 1627/4885

“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.

Send feedback