SCHEMBL22981246

SCHEMBL22981246

Cn1cc(C2(NC(=O)O)CCCNC2)nn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.38
▸ SLC10A1 Q14973 1/20 0.35
▸ WNT1 P04628 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ IDO1 P14902 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30

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
SCHEMBL22986163 0.89 BRD4 (0.37) BRD4SLC10A1WNT1GSK3BDYRK1A
SCHEMBL21378251 0.75 SLC10A1 (0.34) SLC10A1WNT1GSK3BDYRK1A
Hydrochloric Acid SCHEMBL22981393 0.74 FPR2 (0.36) HSD17B10SLC6A9ALDH1A1
SCHEMBL4011286 0.71 SLC6A9 (0.50) HSD17B10SLC6A9HTR2A
SCHEMBL22981913 0.70 BAZ2A (0.33) HSD17B10SLC6A9
SCHEMBL18920855 0.69 BAZ2A (0.33) —
SCHEMBL21949727 0.68 CTSL (0.46) BRD4ALDH1A1
SCHEMBL18920481 0.66 BPTF (0.32) —
SCHEMBL18920865 0.66 CYP2D6 (0.31) —
SCHEMBL18920449 0.66 P2RX7 (0.33) HTR2A

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 4 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
EP-4013755-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS Novartis AG (CH) 2022-06-22 — — EP disclosed
WO-2021028854-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 BRD4 71/4885SLC10A1 2334/4885WNT1 2292/4885
US-20230002388-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS NSD2, NSD1, NSD3 BRD4 71/4885SLC10A1 2334/4885WNT1 2292/4885

“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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