SCHEMBL188445

SCHEMBL188445

COCC(=O)N1CCN(c2cc[c]cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
TSHR P16473 4/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.44
GRM5 P41594 2/20 0.44
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5213624 0.87 KMT2A (0.49) KMT2AMEN1SMN1; SMN2MAPTTSHR
SCHEMBL188623 0.86 MAPT (0.47) KMT2AMEN1MAPTTSHRPOLB
SCHEMBL188675 0.86 MAPT (0.47) KMT2AMEN1MAPTTSHRPOLB
SCHEMBL188055 0.85 MAPT (0.46) KMT2AMEN1SMN1; SMN2MAPTTSHR
SCHEMBL25220513 0.81 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2MAPTTSHR
SCHEMBL1814504 0.78 MAPT (0.63) KMT2AMEN1SMN1; SMN2MAPTTSHR
SCHEMBL189085 0.77 ALDH1A1 (0.53) KMT2AMEN1SMN1; SMN2MAPTTSHR
SCHEMBL4688294 0.74 NPSR1 (0.51) KMT2AMEN1SMN1; SMN2MAPTTSHR
SCHEMBL188725 0.73 ALDH1A1 (0.44) SMN1; SMN2MAPTPOLBLMNAALDH1A1
SCHEMBL12525747 0.72 AOC3 (0.52) KMT2AMEN1SMN1; SMN2MAPTTSHR

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 KMT2A 3701/4885MEN1 3601/4885SMN1; SMN2 4848/4885

“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.