SCHEMBL188675

SCHEMBL188675

COCC(=O)N1CCN(c2cc[c]cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
GRM5 P41594 5/20 0.46
SMO Q99835 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 3/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.41
THRB P10828 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL188623 0.87 MAPT (0.47) MAPTGRM5SMOTSHRKMT2A
SCHEMBL188055 0.86 MAPT (0.46) MAPTSMOLMNAMAPK1TSHR
SCHEMBL188445 0.86 KMT2A (0.46) MAPTGRM5LMNAMAPK1TSHR
SCHEMBL1814504 0.79 MAPT (0.63) MAPTGRM5MAPK1TSHRKMT2A
SCHEMBL28694479 0.78 MEN1 (0.50) MAPTLMNAMAPK1KMT2APOLB
SCHEMBL8509690 0.76 MAPT (0.56) MAPTGRM5SMOPOLBGAA
SCHEMBL3436455 0.72 KMT2A (0.60) MAPTTSHRKMT2AMEN1GAA
SCHEMBL4113163 0.72 DRD2 (0.51) MAPTMAPK1POLBGAAALDH1A1
SCHEMBL5213624 0.71 KMT2A (0.49) MAPTGRM5LMNATSHRKMT2A
SCHEMBL27769716 0.71 CYP2D6 (0.45) MAPTLMNAKMT2AMEN1GAA

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 MAPT 4723/4885GRM5 3255/4885SMO 3052/4885

“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.