SCHEMBL17213585

SCHEMBL17213585

O=C1CCC(c2ccc(Nc3ncnc4nc[nH]c34)cc2O)=NN1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 5/20 0.57
▸ TOP2A P11388 2/20 0.50
▸ BRAF P15056 2/20 0.50
▸ GSK3B P49841 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ TNNI3K Q59H18 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ LMNA P02545 1/20 0.45

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
SCHEMBL17213584 0.84 MKNK1 (0.56) MKNK1TOP2ABRAFROCK1SMN1; SMN2
SCHEMBL4924375 0.72 TOP2A (0.67) MKNK1TOP2ABRAFGSK3BROCK1
SCHEMBL17213586 0.72 MKNK1 (0.55) MKNK1TOP2ABRAFROCK1SMN1; SMN2
SCHEMBL4921641 0.69 MKNK1 (0.73) MKNK1TOP2ABRAFROCK1SMN1; SMN2
SCHEMBL7284601 0.69 SMN1; SMN2 (0.46) SMN1; SMN2TSHRHSD17B10MAPTMAPK1
SCHEMBL17213583 0.69 PDE3B (0.52) MKNK1TOP2ABRAFROCK1SMN1; SMN2
SCHEMBL4913723 0.68 MKNK1 (0.72) MKNK1TOP2ABRAFROCK1SMN1; SMN2
SCHEMBL4923493 0.68 SMN1; SMN2 (0.78) MKNK1TOP2ABRAFGSK3BROCK1
SCHEMBL4922663 0.68 RAB9A (0.69) MKNK1TOP2ABRAFROCK1SMN1; SMN2
SCHEMBL4925939 0.68 RAB9A (0.73) MKNK1TOP2ABRAFGSK3BROCK1

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
EP-3134405-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2019-08-28 — — EP disclosed
US-20180072750-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2018-03-15 — — US disclosed
US-9868744-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2018-01-16 — — US disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 — — US disclosed
US-20170037053-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-09 — — US disclosed
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 — — 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 (3 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-20180072750-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 MKNK1 2332/4885TOP2A 2829/4885BRAF 2860/4885
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 MKNK1 2332/4885TOP2A 2829/4885BRAF 2860/4885
US-20170037053-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 MKNK1 2027/4885TOP2A 3018/4885BRAF 2886/4885

“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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