SCHEMBL22054837

SCHEMBL22054837

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@H]2N[S@@+]([O-])C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.41
▸ NAMPT P43490 8/20 0.40
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL21397495 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL22440518 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL29832106 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL29832077 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL27193052 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL23902047 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL23046046 0.91 NAMPT (0.40) ATMNAMPTGPR119KDM1AMAPK1
SCHEMBL23046045 0.91 NAMPT (0.40) ATMNAMPTGPR119KDM1AMAPK1
SCHEMBL21940706 0.91 NAMPT (0.40) ATMNAMPTGPR119KDM1AMAPK1
SCHEMBL21940884 0.91 NAMPT (0.40) ATMNAMPTGPR119KDM1AMAPK1

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-20220073521-A1 PYRIMIDINE AND FIVE-MEMBERED NITROGEN HETEROCYCLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF TUOJIE BIOTECH (SHANGHAI) CO., LTD. (CN) 2022-03-10 — — US disclosed
US-20220073521-A1 PYRIMIDINE AND FIVE-MEMBERED NITROGEN HETEROCYCLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF TUOJIE BIOTECH (SHANGHAI) CO., LTD. (CN) 2022-03-10 — — US disclosed
WO-2020108590-A1 PYRIMIDINE AND FIVE-MEMBERED NITROGEN HETEROCYCLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF 上海拓界生物医药科技有限公司 2020-06-04 — — 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 (1 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-20220073521-A1 PYRIMIDINE AND FIVE-MEMBERED NITROGEN HETEROCYCLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF PTPN5, PTPN11, PTPN1 ATM 2186/4885NAMPT 100/4885TSHR 4013/4885

“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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