SCHEMBL22828671

SCHEMBL22828671

O=C(Nc1ccc(C(F)(F)F)nc1)Nc1c[nH]nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ IGF1R P08069 5/20 0.42
▸ P2RY1 P47900 2/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CSF1R P07333 1/20 0.39

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
SCHEMBL22828374 0.84 STING1 (0.55) P2RY1NPC1RAB9ATRPV1NTRK1
SCHEMBL23719252 0.80 TP53 (0.52) NPC1RAB9AROCK2NTRK1MAPT
SCHEMBL22828406 0.79 KMT2A (0.62) RAB9ANTRK1MAPT
SCHEMBL22828674 0.79 RAB9A (0.62) DYRK1ANPC1RAB9ATRPV1NTRK1
SCHEMBL23719139 0.77 ROCK2 (0.40) NPC1RAB9AROCK2NTRK1KDM4E
SCHEMBL22236081 0.76 CLK2 (0.68) CLK2DYRK1ANPC1RAB9AMAPT
SCHEMBL23719246 0.73 CNR1 (0.43) ROCK2MAPTKDM4E
SCHEMBL22049637 0.72 CLK2 (0.58) CLK2DYRK1AIGF1RP2RY1RAB9A
SCHEMBL22049829 0.71 CLK2 (0.54) CLK2DYRK1AP2RY1RAB9ATRPV1
SCHEMBL22828216 0.71 KMT2A (0.52) NPC1RAB9ATRPV1MAPT

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
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 — — US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CLK2 1343/4885DYRK1A 4056/4885IGF1R 2592/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 CLK2 867/4885DYRK1A 2647/4885IGF1R 3134/4885

“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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