SCHEMBL188042

SCHEMBL188042

CC1CN(C)CCN1c1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
GSK3B P49841 2/20 0.37
SLC18A3 Q16572 1/20 0.37
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
HSF1 Q00613 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTR2A P28223 3/20 0.33
LMNA P02545 3/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRM1 P35372 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL10819374 0.81 MAPK1 (0.61) MAPK1SLC18A3DRD2DRD4CCNE1
SCHEMBL5633128 0.81 MAPK1 (0.61) MAPK1SLC18A3DRD2DRD4CCNE1
SCHEMBL10819373 0.81 MAPK1 (0.61) MAPK1SLC18A3DRD2DRD4CCNE1
SCHEMBL27372185 0.80 SMN1; SMN2 (0.47) MAPK1GSK3BSMN1; SMN2LMNAMEN1
SCHEMBL19003699 0.80 SMN1; SMN2 (0.47) MAPK1GSK3BSMN1; SMN2LMNAMEN1
SCHEMBL2610122 0.80 SMN1; SMN2 (0.47) MAPK1GSK3BSMN1; SMN2LMNAMEN1
SCHEMBL15858036 0.79 HRH3 (0.48) MAPK1GSK3BSLC18A3TRPV4SMN1; SMN2
SCHEMBL21590149 0.79 HRH3 (0.51) MAPK1GSK3BSLC18A3DRD2DRD4
SCHEMBL15858008 0.79 HRH3 (0.48) MAPK1GSK3BSLC18A3TRPV4SMN1; SMN2
SCHEMBL21590190 0.79 HRH3 (0.51) MAPK1GSK3BSLC18A3DRD2DRD4

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 MAPK1 163/4885GSK3B 1193/4885SLC18A3 4708/4885

“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.