SCHEMBL3701153

SCHEMBL3701153

c1n[nH]c(N2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ JAK3 P52333 1/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTK2 Q05397 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL28021314 0.81 ALDH1A1 (0.45) LMNAALDH1A1TP53GAAKDM4E
SCHEMBL29756219 0.74 NR3C2 (0.41) ALDH1A1LRRK2
SCHEMBL2524274 0.72 KMT2A (0.44) PIK3CAPIK3CBALDH1A1TP53GAA
SCHEMBL18502918 0.71 CDC7 (0.43) LMNAPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL6904489 0.68 TP53 (0.45) LMNAPIK3CAPIK3CDPIK3CBTP53
SCHEMBL3996434 0.65 PIM1 (0.40) LMNAPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL28145820 0.65 LMNA (0.51) LMNAALDH1A1GAAKDM4EHTT
SCHEMBL28145836 0.65 PRMT6 (0.47) LMNAALDH1A1GAAKDM4EHTT
SCHEMBL28145812 0.65 KDM4E (0.58) GAAKDM4EMAPK1L3MBTL1KMT2A
SCHEMBL5611260 0.64 ATR (0.48) LMNAPIK3CAPIK3CDPIK3CBPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429292-B1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER GEORGIA STATE UNIV RESEARCH FOUNDATION (US) 2019-04-03 — — EP disclosed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 — — US 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-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER CDK6, CDK5, CDK4 LMNA 1605/4885PIK3CA 127/4885PIK3CD 195/4885

“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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