SCHEMBL5729690

SCHEMBL5729690

N#CC(C(=O)C(F)(F)F)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
EEF2K O00418 2/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 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
SCHEMBL16397799 0.87 S1PR3 (0.41) MEN1KMT2A
SCHEMBL5073551 0.82 ALDH1A1 (0.32) MAPTALDH1A1HPGDTSHR
SCHEMBL28924301 0.81 ALDH1A1 (0.38) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL6049469 0.80 ALDH1A1 (0.47) MAPTALDH1A1GAALMNAPOLB
SCHEMBL166050 0.78 HDAC4 (0.41) MAPTALDH1A1LMNAPOLBPDK1
SCHEMBL5070746 0.76 MEN1 (0.40) ALDH1A1LMNAPDK1PDK2PDK3
SCHEMBL9214178 0.76 LMNA (0.45) MAPTALDH1A1GAALMNAPOLB
SCHEMBL1008191 0.75 MDM2 (0.40) LMNAHTTTSHR
SCHEMBL7271607 0.74 GRN (0.35) GAA
SCHEMBL20767316 0.74 SLC6A3 (0.41) ALDH1A1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218381-B1 AMINO SUBSTITUTED PYRAZOLO¬1,5-a|-1,5-PYRIMIDINES AND PYRAZOLO¬1,5-a|-1,3,5-TRIAZINES NEUROGEN CORP (US) 2006-12-06 EP disclosed
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NEUROGEN CORPORATION (US) 2003-04-10 US disclosed
US-6476038-B1 Amino substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo[1,5-a]-1,3,5-triazines NEUROGEN CORPORATION 2002-11-05 US disclosed
EP-1218379-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP disclosed
EP-1218381-A2 AMINO SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP disclosed
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US disclosed
WO-2001023387-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 WO disclosed
WO-2001023388-A2 AMINO SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 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-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NPY1R, NPY5R, NPY2R MAPT 2820/4885ALDH1A1 2283/4885GAA 3225/4885

“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.