SCHEMBL188623

SCHEMBL188623

COCC(=O)N1CCN(c2cc[c]cc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 3/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
SMO Q99835 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GRM5 P41594 1/20 0.42
NAMPT P43490 1/20 0.41
THRB P10828 1/20 0.41
CYP2D6 P10635 2/20 0.41
AR P10275 1/20 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
SCHEMBL188675 0.87 MAPT (0.47) MAPTKMT2AMEN1TSHRGAA
SCHEMBL188055 0.86 MAPT (0.46) MAPTKMT2AMEN1TSHRGAA
SCHEMBL188445 0.86 KMT2A (0.46) MAPTKMT2AMEN1TSHRGAA
SCHEMBL3436455 0.81 KMT2A (0.60) MAPTKMT2AMEN1TSHRGAA
SCHEMBL188256 0.80 ALDH1A1 (0.55) MAPTKMT2AMEN1TSHRPOLB
SCHEMBL1814504 0.79 MAPT (0.63) MAPTKMT2AMEN1TSHRGAA
SCHEMBL2479658 0.78 GPR119 (0.49) MAPTKMT2AMEN1TSHRALDH1A1
SCHEMBL189071 0.76 MAPT (0.53) MAPTKMT2AMEN1TSHRGAA
SCHEMBL188346 0.74 HTR2A (0.39) ALDH1A1
SCHEMBL1815031 0.73 DRD2 (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E

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 4723/4885KMT2A 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.