SCHEMBL22659359

SCHEMBL22659359

O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(-c3ccccc3F)cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.49
▸ KCNQ3 O43525 5/20 0.45
▸ KCNQ2 O43526 5/20 0.45
▸ KCNE1 P15382 4/20 0.45
▸ KCNQ1 P51787 4/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ TRPV1 Q8NER1 2/20 0.44
▸ DDR2 Q16832 1/20 0.43
▸ WNT3A P56704 4/20 0.43
▸ MAPT P10636 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ BRAF P15056 1/20 0.42

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
SCHEMBL29405064 1.00 DGAT2 (0.49) DGAT2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29405937 0.91 KLKB1 (0.48) DGAT2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659168 0.91 KLKB1 (0.48) DGAT2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659373 0.89 BRAF (0.47) DGAT2HDAC4TRPV1DDR2MAPT
SCHEMBL22659137 0.89 KCNQ3 (0.47) DGAT2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659842 0.87 MCHR1 (0.51) DGAT2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22680062 0.85 WNT3A (0.50) DGAT2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24571432 0.83 NTRK1 (0.42) DGAT2WNT3AMAPTGSK3BBRAF
SCHEMBL22659169 0.82 KCNJ11 (0.47) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL22679920 0.82 TRPV1 (0.47) DGAT2KCNQ3KCNQ2KCNE1KCNQ1

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-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 — — EP disclosed
WO-2020231739-A2 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC (US) 2020-11-19 — — WO disclosed
WO-2020231739-A2 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC (US) 2020-11-19 — — 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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 DGAT2 1279/4885KCNQ3 4135/4885KCNQ2 4299/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 DGAT2 1279/4885KCNQ3 4135/4885KCNQ2 4299/4885

“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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