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Sugi Predict / Compounds / SCHEMBL12371655

SCHEMBL12371655

SCHEMBL12371655

CCN(CC)CCCNC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ DRD2 P14416 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ STS P08842 2/20 0.40
▸ VEGFA P15692 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL10158804 0.86 ATM (0.48) HTTSMN1; SMN2NPSR1DRD2MEN1
SCHEMBL1002999 0.79 PKM (0.53) HTTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL1003393 0.79 MEN1 (0.51) HTTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL8876877 0.79 MEN1 (0.51) HTTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL8878617 0.77 KMT2A (0.65) MEN1KMT2AALDH1A1
SCHEMBL24485248 0.75 MEN1 (0.52) HTTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL2466711 0.74 MEN1 (0.41) SMN1; SMN2MEN1KMT2AKDM1AALDH1A1
SCHEMBL13512956 0.74 MEN1 (0.56) HTTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL24485250 0.74 MEN1 (0.53) HTTSMN1; SMN2NPSR1DRD2MEN1
SCHEMBL12195183 0.74 KEAP1 (0.52) HTTSMN1; SMN2NPSR1MEN1KMT2A

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-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-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
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

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 HTT 3701/4885SMN1; SMN2 3946/4885NPSR1 2860/4885

“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.