SCHEMBL188050

SCHEMBL188050

O=C(C1CCC1)N1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ TDP1 Q9NUW8 1/20 0.60
▸ POLB P06746 1/20 0.54
▸ TSHR P16473 3/20 0.50
▸ NAMPT P43490 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL188596 0.94 TDP1 (0.69) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL3262311 0.91 TDP1 (0.61) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL26706252 0.81 MAPT (0.69) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL189163 0.81 ALDH1A1 (0.69) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL6472537 0.79 TSHR (0.65) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL22542070 0.78 ALDH1A1 (0.69) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL22814982 0.77 ALDH1A1 (0.68) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL22814979 0.77 ALDH1A1 (0.68) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL28581975 0.77 KMT2A (0.72) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL26706322 0.77 ALDH1A1 (0.59) MAPTALDH1A1KMT2AMEN1TDP1

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 4723/4885ALDH1A1 1119/4885KMT2A 3701/4885

“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.

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