SCHEMBL20177576

SCHEMBL20177576

COc1cccc(Br)c1N/C(=N/N)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE4D Q08499 2/20 0.34

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
SCHEMBL20166559 1.00 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGAAPOLBKMT2A
SCHEMBL20166557 1.00 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGAAPOLBKMT2A
SCHEMBL20168827 0.88 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EGAAKMT2AHPGD
SCHEMBL20168826 0.88 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EGAAKMT2AHPGD
SCHEMBL20177952 0.88 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EGAAKMT2AHPGD
SCHEMBL20177573 0.80 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EGAAPOLBKMT2A
SCHEMBL20166584 0.80 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EPOLBKMT2AHPGD
SCHEMBL19550986 0.74 ITGB1 (0.39) SMN1; SMN2KDM4EPOLBKMT2AMEN1
SCHEMBL19551002 0.74 ITGB1 (0.39) SMN1; SMN2KDM4EPOLBKMT2AMEN1
SCHEMBL19550990 0.74 ITGB1 (0.39) SMN1; SMN2KDM4EPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 — — US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 — — US disclosed
WO-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 — — WO 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 (2 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-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R SMN1; SMN2 4642/4885KDM4E 4750/4885GAA 4638/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R SMN1; SMN2 4642/4885KDM4E 4750/4885GAA 4638/4885

“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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