SCHEMBL17951775

SCHEMBL17951775

c1ccc(-p2c3cnccc3c3ccncc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.42
▸ GOPC Q9HD26 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ TOP1 P11387 1/20 0.39

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
SCHEMBL1102610 0.75 MAPK10 (0.33) CYP11B1ALDH1A1SMN1; SMN2KDM4EGABRP
SCHEMBL22866145 0.71 KDM4E (0.45) CFTRGOPCCYP11B2SLC6A2SLC6A4
SCHEMBL21428102 0.71 KDM4E (0.45) CFTRGOPCCYP11B2SLC6A2SLC6A4
SCHEMBL22866146 0.71 KDM4E (0.45) CFTRGOPCCYP11B2SLC6A2SLC6A4
SCHEMBL21427775 0.71 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2A6SMN1; SMN2
SCHEMBL753503 0.67 KDM4E (0.30) ALDH1A1CYP1A2KDM4EHPGDKMT2A
SCHEMBL15374747 0.66 PARP1 (0.55) CYP11B1ALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL17298998 0.66 PARP1 (0.55) CYP11B1ALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL743939 0.66 PARP1 (0.55) CYP11B1ALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL15374721 0.66 PARP1 (0.55) CYP11B1ALDH1A1CYP1A2CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002310-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF BAUMGARTNER THOMAS (CA) 2021-01-07 — — US disclosed
WO-2019183716-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF BAUMGARTNER THOMAS (CA) 2019-10-03 — — WO disclosed
EP-3048156-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 — — EP disclosed
EP-3048155-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 — — 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 (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-20210002310-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF CDS2, PLCG2, PHOSPHO1 CFTR 4844/4885GOPC 1674/4885CYP11B2 847/4885

“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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