SCHEMBL22986360

SCHEMBL22986360

COC(=O)c1cc(-c2cc(F)c(F)cc2C(F)F)ncc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
JMJD6 Q6NYC1 1/20 0.39
ALPL P05186 3/20 0.39
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCN9A Q15858 2/20 0.34
AAK1 Q2M2I8 4/20 0.33
MAPT P10636 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.32
SCN5A Q14524 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
HDAC1 Q13547 1/20 0.32
PLA2G2A P14555 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL29707089 0.86 ALPL (0.43) TGFBR1JMJD6ALPLSLC6A4SLC6A3
SCHEMBL22986147 0.86 ALPL (0.43) TGFBR1JMJD6ALPLSLC6A4SLC6A3
SCHEMBL22981788 0.85 ALPL (0.54) TGFBR1JMJD6ALPLSLC6A4SLC6A3
SCHEMBL22986366 0.84 KDM4E (0.47) TGFBR1JMJD6KDM4EPLA2G2ANPC1
SCHEMBL22981650 0.77 ALPL (0.43) TGFBR1JMJD6ALPLSLC6A4SLC6A3
SCHEMBL29707102 0.77 ALPL (0.43) TGFBR1JMJD6ALPLSLC6A4SLC6A3
SCHEMBL22986361 0.77 JMJD6 (0.44) TGFBR1JMJD6ALPLSLC6A4SLC6A3
SCHEMBL29707095 0.74 KMO (0.47) JMJD6SLC6A4SLC6A3MAPTKDM4E
SCHEMBL22981770 0.74 KMO (0.47) JMJD6SLC6A4SLC6A3MAPTKDM4E
SCHEMBL22986367 0.73 CDK9 (0.46) JMJD6ALPLSLC6A4SLC6A3SCN9A

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-20230002388-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2023-01-05 US disclosed
US-11420970-B1 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NOVARTIS AG (CH) 2022-08-23 US disclosed
WO-2021026803-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-02-18 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-11420970-B1 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NSD2, NSD1, NSD3 TGFBR1 3644/4885JMJD6 440/4885ALPL 4519/4885
US-20230002388-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS NSD2, NSD1, NSD3 TGFBR1 3644/4885JMJD6 440/4885ALPL 4519/4885

“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.