SCHEMBL22986147

SCHEMBL22986147

COC(=O)c1cc(-c2ccc(F)cc2C(F)F)ncc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
TGFBR1 P36897 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
PLA2G2A P14555 2/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
DHODH Q02127 1/20 0.36
MAPT P10636 2/20 0.35
KMO O15229 1/20 0.35

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 1.00 ALPL (0.43) ALPLTGFBR1SLC6A4SLC6A3JMJD6
SCHEMBL22986366 0.88 KDM4E (0.47) TGFBR1JMJD6PLA2G2AROCK2ROCK1
SCHEMBL22986360 0.86 TGFBR1 (0.41) ALPLTGFBR1SLC6A4SLC6A3JMJD6
SCHEMBL22986367 0.82 CDK9 (0.46) ALPLSLC6A4SLC6A3JMJD6PLA2G2A
SCHEMBL22986361 0.79 JMJD6 (0.44) ALPLTGFBR1SLC6A4SLC6A3JMJD6
SCHEMBL22981788 0.76 ALPL (0.54) ALPLTGFBR1SLC6A4SLC6A3JMJD6
SCHEMBL22981732 0.74 HPGDS (0.49) SLC6A4SLC6A3JMJD6PLA2G2AKMO
SCHEMBL29719673 0.74 HPGDS (0.49) SLC6A4SLC6A3JMJD6PLA2G2AKMO
SCHEMBL29707076 0.74 HPGDS (0.49) SLC6A4SLC6A3JMJD6PLA2G2AKMO
SCHEMBL22986363 0.73 KDM4E (0.49) ALPLTGFBR1JMJD6PLA2G2ANPC1

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 ALPL 4519/4885TGFBR1 3644/4885SLC6A4 1385/4885
US-20230002388-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS NSD2, NSD1, NSD3 ALPL 4519/4885TGFBR1 3644/4885SLC6A4 1385/4885

“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.