SCHEMBL473359

SCHEMBL473359

CC1CN(c2ncnc3[nH]nc(Br)c23)CCN1Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.41
KIT P10721 2/20 0.40
RPS6KB1 P23443 2/20 0.40
CXCR3 P49682 5/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LIMK2 P53671 2/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL473344 1.00 AKT1 (0.41) AKT1KITRPS6KB1CXCR3MEN1
SCHEMBL27802465 0.86 AKT1 (0.42) AKT1KITRPS6KB1MEN1KMT2A
SCHEMBL473424 0.86 AKT1 (0.42) AKT1RPS6KB1CXCR3
SCHEMBL473311 0.83 MEN1 (0.50) AKT1RPS6KB1MEN1KMT2A
SCHEMBL473312 0.81 AKT1 (0.37) AKT1RPS6KB1CXCR3MEN1KMT2A
SCHEMBL10159411 0.81 AKT1 (0.37) AKT1KITRPS6KB1CXCR3MEN1
SCHEMBL1790816 0.78 RPS6KB1 (0.56) RPS6KB1LIMK2HRH4
SCHEMBL1787492 0.78 RPS6KB1 (0.56) RPS6KB1LIMK2HRH4
SCHEMBL1790785 0.77 RPS6KB1 (0.47) AKT1RPS6KB1MEN1KMT2A
SCHEMBL473308 0.77 AKT1 (0.46) AKT1RPS6KB1

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 5 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-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 AKT1 14/4885KIT 572/4885RPS6KB1 10/4885

“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.