SCHEMBL473405

SCHEMBL473405

ClN(c1ccccc1)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 5/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C9 P11712 4/20 0.38
KCNA5 P22460 4/20 0.38
CYP2C19 P33261 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNE1 P15382 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2B6 P20813 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2712919 0.79 LMNA (0.45) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1933552 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL27544631 0.75 HPGD (0.41) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL4991499 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL11035980 0.71 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL9864709 0.71 CTSK (0.38) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL27418984 0.69 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL4142245 0.69 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27266272 0.69 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL11820260 0.69 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848719-B1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS INC (US) 2012-02-01 EP disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US disclosed
EP-1848719-A1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2007-10-31 EP disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO disclosed
WO-2006071819-A1 [1H-PYRAZOLO[3, 4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THEORONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2006-07-06 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-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 ALDH1A1 4083/4885SMN1; SMN2 3946/4885POLB 3062/4885

“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.