SCHEMBL188410

SCHEMBL188410

CC(C)(C)C(=O)N1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PDK2 Q15119 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
CASP6 P55212 1/20 0.42
GFER P55789 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
SCHEMBL188776 0.89 FASN (0.46) MAPK1KMT2AMEN1MAPTLMNA
SCHEMBL2476141 0.84 ALDH1A1 (0.51) MAPK1KMT2AMAPTLMNAALDH1A1
SCHEMBL8241506 0.83 MAPK1 (0.66) MAPK1KMT2AMEN1PDK2NPC1
SCHEMBL12788651 0.81 AKR1C3 (0.59) MAPK1KMT2AMEN1PDK2POLB
SCHEMBL13887688 0.81 MAPT (0.58) KMT2AMEN1PDK2POLBMAPT
SCHEMBL188211 0.81 GFER (0.64) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL3826006 0.81 MAPT (0.64) KMT2AMEN1PDK2MAPTLMNA
SCHEMBL188121 0.80 GFER (0.68) MAPK1KMT2AMEN1PDK2NPC1
SCHEMBL18701878 0.80 CA12 (0.61) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL19002608 0.80 CYP2C9 (0.51) MAPK1KMT2AMEN1NPC1RAB9A

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 163/4885KMT2A 3701/4885MEN1 3601/4885

“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.