SCHEMBL22986366

SCHEMBL22986366

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXFP1 Q9HBX9 1/20 0.42
DHODH Q02127 1/20 0.41
PLA2G2A P14555 5/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TGFBR1 P36897 1/20 0.40
JMJD6 Q6NYC1 1/20 0.38
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NR4A2 P43354 1/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36

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
SCHEMBL22986147 0.88 ALPL (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29707089 0.88 ALPL (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22986360 0.84 TGFBR1 (0.41) KDM4EPLA2G2ANPC1RAB9ATGFBR1
SCHEMBL22986363 0.83 KDM4E (0.49) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22986362 0.81 KDM4E (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22986361 0.77 JMJD6 (0.44) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22986367 0.76 CDK9 (0.46) CYP2D6CYP2C9PLA2G2AJMJD6ROCK2
SCHEMBL14747762 0.75 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22981788 0.74 ALPL (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22981650 0.73 ALPL (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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 KDM4E 769/4885CYP1A2 4146/4885CYP2D6 4059/4885
US-20230002388-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS NSD2, NSD1, NSD3 KDM4E 769/4885CYP1A2 4146/4885CYP2D6 4059/4885

“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.