SCHEMBL188550

SCHEMBL188550

COC(=O)CCCOc1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LTA4H P09960 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
P2RY12 Q9H244 2/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
PDE2A O00408 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
Hydrochloric Acid SCHEMBL25373638 0.98 MAPT (0.49) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL17262864 0.93 HDAC1 (0.50) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL13933074 0.93 HDAC1 (0.50) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL831000 0.93 HDAC1 (0.50) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL435675 0.91 MAPT (0.52) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL6765132 0.84 LTA4H (0.53) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL13948678 0.84 L3MBTL1 (0.61) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL4844384 0.84 LTA4H (0.51) LMNALTA4HL3MBTL1
SCHEMBL4275826 0.84 HDAC1 (0.56) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL3267566 0.83 BRD4 (0.54) MAPTLMNALTA4HTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MAPT 4723/4885HTT 4847/4885ALDH1A1 1119/4885

“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.