SCHEMBL22049637

SCHEMBL22049637

O=C(Nc1ccc(C(F)(F)F)nc1)Nc1c[nH]c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.58
▸ DYRK1A Q13627 1/20 0.58
▸ BRAF P15056 2/20 0.51
▸ STING1 Q86WV6 3/20 0.49
▸ NAMPT P43490 1/20 0.46
▸ IGF1R P08069 1/20 0.45
▸ TRPV1 Q8NER1 3/20 0.43
▸ AAK1 Q2M2I8 1/20 0.42
▸ P2RY1 P47900 2/20 0.42
▸ RIPK1 Q13546 1/20 0.42
▸ RAB9A P51151 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
SCHEMBL22049829 0.83 CLK2 (0.54) CLK2DYRK1ASTING1NAMPTTRPV1
SCHEMBL22050192 0.83 CLK2 (0.54) CLK2DYRK1ASTING1NAMPTTRPV1
SCHEMBL22049735 0.83 DYRK1A (0.49) CLK2DYRK1ABRAFSTING1IGF1R
SCHEMBL22049655 0.83 CLK2 (0.54) CLK2DYRK1ASTING1NAMPTTRPV1
SCHEMBL22050223 0.80 TRPV1 (0.58) BRAFSTING1TRPV1P2RY1RIPK1
SCHEMBL22049393 0.77 RAB9A (0.56) CLK2DYRK1ABRAFSTING1TRPV1
SCHEMBL22049594 0.77 STING1 (0.51) DYRK1ABRAFSTING1AAK1RAB9A
SCHEMBL22050711 0.76 CAMKK1 (0.42) BRAFSTING1NAMPT
SCHEMBL22236081 0.75 CLK2 (0.68) CLK2DYRK1ANAMPTRAB9A
SCHEMBL22828671 0.72 CLK2 (0.49) CLK2DYRK1AIGF1RTRPV1P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — WO disclosed
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 — — US 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-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CLK2 1343/4885DYRK1A 4056/4885BRAF 369/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 CLK2 867/4885DYRK1A 2647/4885BRAF 884/4885

“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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