SCHEMBL2280247

SCHEMBL2280247

CN(C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
LMNA P02545 1/20 0.66
GLA P06280 1/20 0.57
TP53 P04637 2/20 0.55
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
HRH3 Q9Y5N1 1/20 0.52
TSHR P16473 1/20 0.51
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LSS P48449 1/20 0.49
CNR1 P21554 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC3 O15379 1/20 0.47

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
SCHEMBL2275794 0.86 POLB (0.68) POLBLMNAGAAMAPTSMN1; SMN2
SCHEMBL3760643 0.81 GLA (0.54) POLBLMNAGLAGAAMAPT
SCHEMBL5549714 0.79 TP53 (0.59) POLBTP53GAAMAPTSMN1; SMN2
SCHEMBL16562213 0.78 CNR1 (0.73) TP53GAASMN1; SMN2RAB9ANPC1
SCHEMBL21568080 0.77 NPC1 (0.67) POLBLMNATP53GAAMAPT
SCHEMBL7505669 0.77 CNR1 (0.63) POLBLMNAGAAMAPTSMN1; SMN2
SCHEMBL16380446 0.76 TMEM97 (0.65) SMN1; SMN2TSHRMEN1KMT2ACYP1A2
SCHEMBL8009723 0.75 CA1 (0.50) LMNAGLAMAPTSMN1; SMN2HTT
SCHEMBL16562270 0.75 CNR1 (0.77) TP53GAASMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL27761670 0.74 TMEM97 (0.63) SMN1; SMN2TSHRHTTMEN1KMT2A

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
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

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 POLB 3062/4885LMNA 4117/4885GLA 4686/4885

“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.