SCHEMBL19906485

SCHEMBL19906485

COc1ccc(Cn2c(NCc3cccnc3N)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
P2RX3 P56373 3/20 0.40
PROKR1 Q8TCW9 4/20 0.40
PROKR2 Q8NFJ6 1/20 0.40
TP53 P04637 2/20 0.39
GRM2 Q14416 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CSF1R P07333 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
SCHEMBL10278590 0.85 MAPT (0.46) MAPTTHRBNPC1RAB9ARXFP1
SCHEMBL10288725 0.82 PROKR1 (0.58) PROKR1PROKR2
SCHEMBL10254544 0.82 MAPT (0.48) MAPTTHRBNPC1RAB9ARXFP1
SCHEMBL19906491 0.80 RXFP1 (0.41) MAPTTHRBRXFP1P2RX3PROKR1
SCHEMBL326139 0.79 PDE1B (0.44) MAPTTHRBP2RX3PROKR1PROKR2
SCHEMBL10288356 0.78 PROKR1 (0.61) PROKR1PROKR2
SCHEMBL10278876 0.78 PROKR1 (0.61) PROKR1PROKR2
SCHEMBL12763947 0.75 PROKR1 (0.50) P2RX3PROKR1PROKR2
SCHEMBL326396 0.75 PROKR1 (0.50) P2RX3PROKR1PROKR2
SCHEMBL319694 0.75 PROKR1 (0.53) MAPTTHRBP2RX3PROKR1PROKR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292283-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2021-09-23 US disclosed
US-11124486-B2 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2021-09-21 US disclosed
US-10774051-B2 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2020-09-15 US disclosed
US-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2018-05-03 US disclosed
US-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2018-05-03 US disclosed
EP-3287443-A1 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Shionogi & Co., Ltd (JP) 2018-02-28 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-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S MAPT 3841/4885THRB 1105/4885NPC1 381/4885
US-20210292283-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S MAPT 3854/4885THRB 1277/4885NPC1 287/4885
US-11124486-B2 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S MAPT 3871/4885THRB 1125/4885NPC1 396/4885
US-10774051-B2 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S MAPT 3841/4885THRB 1105/4885NPC1 381/4885

“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.