SCHEMBL22828688

SCHEMBL22828688

O=C(Nc1c[nH]c2c(F)cncc12)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.49
▸ PTGS1 P23219 4/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.43
▸ DEGS1 O15121 1/20 0.42
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41
▸ STING1 Q86WV6 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ ITK Q08881 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ TLK2 Q86UE8 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL22050251 0.86 STING1 (0.59) TRPV1STING1EPHX2FLT3RAB9A
SCHEMBL24208367 0.84 ALDH1A1 (0.46) AAK1RAB9A
SCHEMBL24208366 0.81 HIF1A (0.41) AAK1
SCHEMBL22246744 0.81 PTGS1 (0.47) AAK1PTGS1PARP1TRPV1DEGS1
SCHEMBL23195252 0.80 TRPV1 (0.45) TRPV1
SCHEMBL25120695 0.79 AAK1 (0.58) AAK1PTGS1PARP1TRPV1DEGS1
SCHEMBL21988074 0.77 STING1 (0.33) AAK1STING1
SCHEMBL22246840 0.77 CYP19A1 (0.33) AAK1TRPV1STING1
SCHEMBL24213917 0.77 AAK1 (0.39) AAK1KCNQ3KCNQ2
SCHEMBL22246830 0.76 PTGS1 (0.50) AAK1PTGS1PARP1TRPV1STING1

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-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

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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 AAK1 1803/4885PTGS1 3104/4885PARP1 644/4885

“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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