SCHEMBL22659842

SCHEMBL22659842

O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(-c3ccc(F)cc3)cnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.51
▸ HTR2C P28335 2/20 0.51
▸ PTPN1 P18031 2/20 0.48
▸ PTPN6 P29350 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ DGAT2 Q96PD7 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ KCNQ3 O43525 4/20 0.45
▸ KCNQ2 O43526 4/20 0.45
▸ KCNE1 P15382 3/20 0.45
▸ KCNQ1 P51787 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ BACE1 P56817 1/20 0.44
▸ P4HTM Q9NXG6 1/20 0.44

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
SCHEMBL22659137 0.92 KCNQ3 (0.47) MCHR1HTR2CDGAT2TRPV1KCNQ3
SCHEMBL22659168 0.90 KLKB1 (0.48) MCHR1HTR2CPTPN1PTPN6PTPN11
SCHEMBL29405937 0.90 KLKB1 (0.48) MCHR1HTR2CPTPN1PTPN6PTPN11
SCHEMBL22659359 0.87 DGAT2 (0.49) DGAT2TRPV1KCNQ3KCNQ2KCNE1
SCHEMBL29405064 0.87 DGAT2 (0.49) DGAT2TRPV1KCNQ3KCNQ2KCNE1
SCHEMBL22659311 0.86 PDGFRB (0.52) MCHR1PTPN1DGAT2TRPV1KCNQ3
SCHEMBL22659169 0.85 KCNJ11 (0.47) MCHR1TRPV1KCNQ3KCNQ2KCNE1
SCHEMBL22680041 0.84 PTPN1 (0.56) MCHR1HTR2CPTPN1PTPN6PTPN11
SCHEMBL22659373 0.84 BRAF (0.47) DGAT2TRPV1SMN1; SMN2NPC1MAPT
SCHEMBL22659283 0.84 TRPV1 (0.48) DGAT2TRPV1KCNQ3KCNQ2KCNE1

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 MCHR1 584/4885HTR2C 676/4885PTPN1 3365/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 MCHR1 584/4885HTR2C 676/4885PTPN1 3365/4885

“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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