SCHEMBL21690580

SCHEMBL21690580

COc1cc2ccnc(C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ TNF P01375 2/20 0.41
▸ SOS1 Q07889 2/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ NSD2 O96028 2/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ SENP8 Q96LD8 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP6 Q9GZR1 2/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 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
SCHEMBL21690571 0.82 ACHE (0.74) ACHEL3MBTL1CYP3A4TRPA1CYP1A2
SCHEMBL23457647 0.82 ACHE (0.78) ACHEL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL23457402 0.81 ACHE (0.76) ACHEL3MBTL1CYP3A4TRPA1CYP1A2
SCHEMBL23457744 0.80 ACHE (0.70) ACHEL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL23457478 0.80 ACHE (0.78) ACHEL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL21690579 0.78 ACHE (0.79) ACHEL3MBTL1CYP3A4TRPA1CYP1A2
SCHEMBL23457420 0.77 ACHE (0.77) ACHEL3MBTL1KMT2ACYP3A4TRPA1
SCHEMBL23457446 0.73 CASP3 (0.67) L3MBTL1CYP3A4TRPA1CYP1A2CYP2D6
SCHEMBL23457941 0.73 ACHE (0.70) ACHEL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL23457737 0.73 ACHE (0.60) ACHEL3MBTL1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163453-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-03 — — US disclosed
WO-2020023537-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS OHIO STATE INNOVATION FOUNDATION (US) 2020-01-30 — — 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 (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-20210163453-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS HIF1AN, HIF1A, HYOU1 ACHE 2115/4885L3MBTL1 3551/4885MEN1 3433/4885

“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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