SCHEMBL22680067

SCHEMBL22680067

Cc1ccccc1-c1ccc2cc(C(=O)Nc3ccc(C(F)(F)F)nc3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 4/20 0.47
▸ LCK P06239 5/20 0.46
▸ KDR P35968 5/20 0.46
▸ JAK3 P52333 5/20 0.46
▸ MAPK14 Q16539 5/20 0.46
▸ TEK Q02763 3/20 0.46
▸ DGAT2 Q96PD7 1/20 0.46
▸ TRPV1 Q8NER1 3/20 0.45
▸ DGAT1 O75907 1/20 0.44
▸ DDR2 Q16832 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KCNQ3 O43525 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ KCNE1 P15382 1/20 0.42
▸ KCNQ1 P51787 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
SCHEMBL22680062 0.89 WNT3A (0.50) DGAT2TRPV1KCNQ3KCNQ2KCNE1
SCHEMBL24571214 0.86 TRPV1 (0.49) BRAFKDRDGAT2TRPV1NPC1
SCHEMBL22659373 0.85 BRAF (0.47) BRAFLCKKDRJAK3MAPK14
SCHEMBL22680041 0.82 PTPN1 (0.56) DGAT2TRPV1NPC1RAB9AMAPT
SCHEMBL29405064 0.77 DGAT2 (0.49) BRAFDGAT2TRPV1DDR2MAPT
SCHEMBL22659359 0.77 DGAT2 (0.49) BRAFDGAT2TRPV1DDR2MAPT
SCHEMBL22659137 0.75 KCNQ3 (0.47) BRAFKDRDGAT2TRPV1NPC1
SCHEMBL22659283 0.73 TRPV1 (0.48) KDRDGAT2TRPV1MAPTSMN1; SMN2
SCHEMBL22659169 0.73 KCNJ11 (0.47) BRAFLCKKDRJAK3MAPK14
SCHEMBL22659056 0.73 KCNQ3 (0.50) KDRTRPV1NPC1RAB9AKCNQ3

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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US 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 (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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 BRAF 1104/4885LCK 1227/4885KDR 2484/4885

“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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