SCHEMBL22986367

SCHEMBL22986367

COC(=O)c1cc(-c2ccc(F)cc2OC)ncc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.46
CCNT1 O60563 1/20 0.46
HDAC3 O15379 1/20 0.45
CDK2 P24941 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALPL P05186 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
PLA2G2A P14555 1/20 0.43
KCNH2 Q12809 2/20 0.42
GRIN2B Q13224 2/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GSK3A P49840 1/20 0.41
IRAK1 P51617 1/20 0.41
GRIN1 Q05586 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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 0.82 ALPL (0.43) ALPLFFAR4PLA2G2ACYP2D6SLC6A4
SCHEMBL22986147 0.82 ALPL (0.43) ALPLFFAR4PLA2G2ACYP2D6SLC6A4
SCHEMBL29707102 0.82 ALPL (0.43) ALPLCYP2D6SLC6A4SLC6A3JMJD6
SCHEMBL22981650 0.82 ALPL (0.43) ALPLCYP2D6SLC6A4SLC6A3JMJD6
SCHEMBL22986361 0.81 JMJD6 (0.44) HDAC1ALPLPLA2G2AGRIN2BCYP2D6
SCHEMBL22981788 0.78 ALPL (0.54) HDAC1ALPLPLA2G2ACYP2D6SLC6A4
SCHEMBL29707061 0.78 DHODH (0.47) PLA2G2AJMJD6ALDH1A1HPGDSMN1; SMN2
SCHEMBL22981957 0.78 DHODH (0.47) PLA2G2AJMJD6ALDH1A1HPGDSMN1; SMN2
SCHEMBL22986363 0.78 KDM4E (0.49) CDK9CCNT1CDK2ALPLPLA2G2A
SCHEMBL22981732 0.76 HPGDS (0.49) PLA2G2ASLC6A4SLC6A3GSK3AJMJD6

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 CDK9 354/4885CCNT1 2148/4885HDAC3 931/4885
US-20230002388-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS NSD2, NSD1, NSD3 CDK9 354/4885CCNT1 2148/4885HDAC3 931/4885

“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.