SCHEMBL188684

SCHEMBL188684

COc1ccc(COc2cccc3c2c2nc4nc(SC)ncc4c(=O)n2n3-c2ccccn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 6/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
TSHR P16473 2/20 0.34
MAPK14 Q16539 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC11A2 P49281 1/20 0.34
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL218024 0.87 CSF1R (0.35) CSF1RNPC1RAB9AALDH1A1LMNA
SCHEMBL185972 0.87 CSF1R (0.35) CSF1RNPC1RAB9AALDH1A1LMNA
SCHEMBL8510234 0.84 MEN1 (0.35) ALDH1A1TSHRMAPTKDM4EHPGD
SCHEMBL188869 0.81 F2RL3 (0.36) ALDH1A1LMNATSHRSMN1; SMN2SLC11A2
SCHEMBL2871226 0.81 MEN1 (0.38) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL8513198 0.80 MEN1 (0.37) ALDH1A1LMNAMAPTKDM4EMAPK1
SCHEMBL215726 0.79 MEN1 (0.34) MEN1KMT2A
SCHEMBL215643 0.79 TSHR (0.35) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL188485 0.78 MEN1 (0.40) ALDH1A1LMNASMN1; SMN2SLC11A2MAPT
SCHEMBL215794 0.77 WEE1 (0.36) NPC1RAB9AL3MBTL1

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 4 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

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 CSF1R 1468/4885NPC1 4341/4885RAB9A 2226/4885

“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.