SCHEMBL8568508

SCHEMBL8568508

CNC(=O)c1cc(C)nn1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
BAZ2B Q9UIF8 1/20 0.53
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1H O95180 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
BRAF P15056 1/20 0.39
NTRK1 P04629 1/20 0.39
CTSV O60911 1/20 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
SCHEMBL9410476 0.83 SMN1; SMN2 (0.46) SMN1; SMN2BAZ2BGAALMNAALDH1A1
SCHEMBL3519480 0.83 KDM4E (0.47) SMN1; SMN2GAALMNAALDH1A1POLB
SCHEMBL12501227 0.80 L3MBTL1 (0.48) SMN1; SMN2GAALMNAALDH1A1POLB
SCHEMBL14611430 0.80 SMN1; SMN2 (0.44) SMN1; SMN2BAZ2BGAALMNAALDH1A1
SCHEMBL27637077 0.79 SMN1; SMN2 (0.48) SMN1; SMN2BAZ2BGAALMNAALDH1A1
SCHEMBL22424005 0.79 BAZ2B (0.47) SMN1; SMN2BAZ2BLMNAALDH1A1L3MBTL1
SCHEMBL20519426 0.79 BAZ2B (0.47) SMN1; SMN2BAZ2BLMNAALDH1A1L3MBTL1
SCHEMBL2737317 0.78 BAZ2B (0.46) SMN1; SMN2BAZ2BGAAALDH1A1L3MBTL1
SCHEMBL334463 0.78 SMN1; SMN2 (0.47) SMN1; SMN2BAZ2BGAALMNAALDH1A1
SCHEMBL286931 0.78 KDM4E (0.58) SMN1; SMN2GAALMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
EP-3596064-B1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-03 EP disclosed
EP-2822953-B9 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-06-21 EP disclosed
EP-2822953-B1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-02-01 EP disclosed
US-9133215-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2015-09-15 US disclosed
US-9133215-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2015-09-15 US disclosed
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2014-05-15 US disclosed
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2014-05-15 US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 US disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-20130252961-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-09-26 US disclosed
WO-2013132376-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER INC. (US) 2013-09-12 WO disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 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 (3 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-20130252961-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, EML4 SMN1; SMN2 2434/4885BAZ2B 2272/4885GAA 299/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD SMN1; SMN2 593/4885BAZ2B 3047/4885GAA 218/4885
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, EML4 SMN1; SMN2 2434/4885BAZ2B 2272/4885GAA 299/4885

“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.