SCHEMBL1999987

SCHEMBL1999987

CSc1nnc(-c2ccnc(C)c2)n1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
DYRK1A Q13627 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
SCHEMBL2967346 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10GAAGLA
SCHEMBL1544895 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL974759 0.74 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10GAAGLA
SCHEMBL9223454 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10GAAGLA
SCHEMBL8262279 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10GAAGLA
SCHEMBL2966770 0.72 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10GAAGLA
SCHEMBL2002380 0.72 DYRK1A (0.41) LMNAMAPTCYP3A4DYRK1A
SCHEMBL4172596 0.71 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10GAAGLA
SCHEMBL1544564 0.71 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10GAAGLA
SCHEMBL10916439 0.71 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10GAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896480-A Tetrazole derivatives as modulators of metabotropic glutamate receptors (MGLURS) ASTRAZENECA AB 2010-11-24 CN claimed
EP-2231647-A1 TETRAZOLE DERIVATES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) AstraZeneca AB (SE) 2010-09-29 EP claimed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US claimed
WO-2009051556-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) ASTRAZENECA AB (SE) 2009-04-23 WO claimed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
WO-2009051556-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) ASTRAZENECA AB (SE) 2009-04-23 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-20090131454-A1 New compounds 067 UGT2B7, UGT1A7, CYP3A7 ALDH1A1 1808/4885KDM4E 3734/4885HSD17B10 639/4885

“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.