SCHEMBL16815697

SCHEMBL16815697

[2H]C([2H])([2H])Oc1ccccc1-c1nccc(C(OC)OC)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 12/20 0.50
▸ CYP3A4 P08684 11/20 0.50
▸ CYP2D6 P10635 10/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ KMT2A Q03164 6/20 0.48
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CYP2C19 P33261 10/20 0.45
▸ TSHR P16473 6/20 0.45
▸ USP2 O75604 5/20 0.45
▸ ALOX15 P16050 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL16815482 0.92 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A
SCHEMBL20742511 0.82 KMT2A (0.46) CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A
SCHEMBL18342623 0.82 KMT2A (0.46) CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A
SCHEMBL26993359 0.81 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A
SCHEMBL16815681 0.80 KMT2A (0.49) CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A
SCHEMBL18342624 0.80 KMT2A (0.44) CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A
SCHEMBL29684947 0.77 CYP19A1 (0.50) CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A
SCHEMBL16815687 0.77 MAPT (0.52) CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A
SCHEMBL20742372 0.77 KMT2A (0.49) CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A
SCHEMBL26985853 0.76 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 — — US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 — — US disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 — — US disclosed
US-9670227-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-06-06 — — US disclosed
EP-2886545-B1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2016-06-29 — — EP disclosed
WO-2015097123-A1 NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-07-02 — — WO disclosed
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-06-25 — — US disclosed
EP-2886545-A1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2015-06-24 — — EP 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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 CYP1A2 230/4885CYP3A4 672/4885CYP2D6 319/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 CYP1A2 230/4885CYP3A4 672/4885CYP2D6 319/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 CYP1A2 230/4885CYP3A4 672/4885CYP2D6 319/4885
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 CYP1A2 230/4885CYP3A4 672/4885CYP2D6 319/4885

“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