SCHEMBL5846316

SCHEMBL5846316

c1nc2c(ccc3cn[nH]c32)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
NOS1 P29475 5/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL2041519 0.71 MAPT (0.40) MAPTNOS1KDM4EMEN1KMT2A
SCHEMBL10054248 0.71 HTR2A (0.39) HTR2AHTR2CMEN1KMT2ASMN1; SMN2
SCHEMBL6196904 0.70 MAPT (0.46) MAPTNOS1KDM4EMEN1KMT2A
SCHEMBL10054250 0.70 HTR2A (0.41) HTR2AHTR2CMEN1KMT2AALDH1A1
SCHEMBL4063814 0.69 MAPT (0.41) MAPTNOS1HTR2AHTR2CKDM4E
SCHEMBL29592501 0.69 MAPT (0.41) MAPTNOS1HTR2AHTR2CKDM4E
Bromide SCHEMBL29228836 0.68 MAPT (0.40) MAPTNOS1HTR2AHTR2CKDM4E
SCHEMBL15590643 0.67 MAPT (0.56) MAPTNOS1KDM4EMEN1KMT2A
SCHEMBL29591329 0.67 MAPT (0.56) MAPTNOS1KDM4EMEN1KMT2A
SCHEMBL29620425 0.67 MAPT (0.42) MAPTNOS1KDM4EMEN1KMT2A

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
EP-2856528-B1 METAL COMPLEXES COMPRISING CONDENSED HETEROAROMATIC RINGS MERCK PATENT GMBH (DE) 2019-07-03 EP disclosed
US-9879177-B2 Metal complexes comprising condensed heteroaromatic rings MERCK PATENT GMBH (DE) 2018-01-30 US disclosed
US-9879177-B2 Metal complexes comprising condensed heteroaromatic rings MERCK PATENT GMBH (DE) 2018-01-30 US disclosed
US-20150105843-A1 METAL COMPLEXES COMPRISING CONDENSED HETEROAROMATIC RINGS UDC IRELAND LIMITED (IE) 2015-04-16 US disclosed
US-20150105843-A1 METAL COMPLEXES COMPRISING CONDENSED HETEROAROMATIC RINGS UDC IRELAND LIMITED (IE) 2015-04-16 US disclosed
WO-2013174471-A1 METAL COMPLEXES COMPRISING CONDENSED HETEROAROMATIC RINGS MERCK PATENT GMBH (DE) 2013-11-28 WO disclosed
US-7129257-B1 Pyrazolo[3,4- e]benzoxazoles for the treatment of glaucoma ALCON, INC. (CH) 2006-10-31 US disclosed
US-7129257-B1 Pyrazolo[3,4- e]benzoxazoles for the treatment of glaucoma ALCON, INC. (CH) 2006-10-31 US disclosed
US-7129257-B1 Pyrazolo[3,4- e]benzoxazoles for the treatment of glaucoma ALCON, INC. (CH) 2006-10-31 US disclosed
US-20060069096-A1 Pyrazolo[3,4-e]benzoxazoles for the treatment of glaucoma DANTANARAYANA ANURA P 2006-03-30 US disclosed
US-20060069096-A1 Pyrazolo[3,4-e]benzoxazoles for the treatment of glaucoma DANTANARAYANA ANURA P 2006-03-30 US disclosed
US-20060069096-A1 Pyrazolo[3,4-e]benzoxazoles for the treatment of glaucoma DANTANARAYANA ANURA P 2006-03-30 US disclosed
EP-0990650-B1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 EP disclosed
US-6245796-B1 NERVOUS SYSTEM DISORDERS; SEXUAL DISORDERS; SLEEP DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-0990650-A1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-04-05 EP 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-20060069096-A1 Pyrazolo[3,4-e]benzoxazoles for the treatment of glaucoma PTGIR, PDE3A, TBXA2R MAPT 2442/4885NOS1 1972/4885HTR2A 3491/4885

“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.