SCHEMBL22659081

SCHEMBL22659081

O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(-c3nccs3)cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.45
▸ PTPN1 P18031 1/20 0.41
▸ KCNQ3 O43525 4/20 0.40
▸ KCNQ2 O43526 4/20 0.40
▸ KCNE1 P15382 4/20 0.40
▸ KCNQ1 P51787 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3C2B O00750 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ PIK3C2G O75747 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ MAPK4 P31152 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
SCHEMBL22659311 0.85 PDGFRB (0.52) TRPV1PTPN1KCNQ3KCNQ2KCNE1
SCHEMBL22679920 0.85 TRPV1 (0.47) TRPV1PTPN1KCNQ3KCNQ2KCNE1
SCHEMBL22659137 0.83 KCNQ3 (0.47) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22659842 0.83 MCHR1 (0.51) TRPV1PTPN1KCNQ3KCNQ2KCNE1
SCHEMBL29406502 0.82 ORAI1 (0.41) KCNQ1MEN1KMT2ANPC1POLB
SCHEMBL22659840 0.82 ORAI1 (0.41) KCNQ1MEN1KMT2ANPC1POLB
SCHEMBL22659168 0.81 KLKB1 (0.48) TRPV1PTPN1KCNQ3KCNQ2KCNE1
SCHEMBL29405937 0.81 KLKB1 (0.48) TRPV1PTPN1KCNQ3KCNQ2KCNE1
SCHEMBL22659359 0.80 DGAT2 (0.49) TRPV1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29405064 0.80 DGAT2 (0.49) TRPV1KCNQ3KCNQ2KCNE1KCNQ1

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 TRPV1 336/4885PTPN1 3365/4885KCNQ3 4135/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 TRPV1 336/4885PTPN1 3365/4885KCNQ3 4135/4885

“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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