SCHEMBL188596

SCHEMBL188596

O=C(C1CC1)N1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.69
▸ MAPT P10636 6/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ NAMPT P43490 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ TFPI2 P48307 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ LSS P48449 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
SCHEMBL3262311 0.94 TDP1 (0.61) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL188050 0.94 MAPT (0.65) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL16356982 0.83 TDP1 (0.73) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL19187554 0.80 TDP1 (0.73) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL1663638 0.80 TDP1 (0.73) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL7678698 0.79 ALDH1A1 (0.49) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL1662763 0.79 TDP1 (0.71) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL1663273 0.78 TDP1 (0.69) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL3637388 0.78 TDP1 (0.69) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL188211 0.77 GFER (0.64) TDP1MAPTKMT2AALDH1A1MEN1

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 TDP1 2230/4885MAPT 4723/4885KMT2A 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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