SCHEMBL12989403

SCHEMBL12989403

CCN1CCC(Nc2c(F)cc(C)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RECQL P46063 1/20 0.41
▸ EHMT2 Q96KQ7 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TDO2 P48775 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ JAK1 P23458 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GRIN2B Q13224 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ UBE2M P61081 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL12074539 0.82 POLB (0.44) EHMT2ALDH1A1
SCHEMBL12988831 0.81 KDM4E (0.53) KDM4EL3MBTL1RECQLMEN1KMT2A
SCHEMBL12990035 0.80 IL1B (0.40) KDM4EMEN1KMT2AGRIN2B
SCHEMBL12074551 0.75 RAPGEF4 (0.45) EHMT2
SCHEMBL13756997 0.73 NOS2 (0.41) EHMT2MEN1KMT2AALDH1A1
SCHEMBL12989911 0.73 POLB (0.45) EHMT2ALDH1A1JAK1
SCHEMBL13757011 0.72 KDM4E (0.57) KDM4EL3MBTL1RECQLMEN1KMT2A
SCHEMBL13757024 0.71 TP53 (0.38) KDM4EL3MBTL1ALDH1A1GAAUBE2M
SCHEMBL15305191 0.70 POLB (0.45) KDM4EEHMT2MEN1KMT2AALDH1A1
SCHEMBL15787991 0.69 DRD4 (0.47) KDM4EALDH1A1

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-8404674-B2 Substituted 9H-purin-2-YL compounds, compositions thereof and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-26 — — US disclosed
US-20100311721-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 — — US disclosed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 — — US 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 (2 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-20100311721-A1 COMPOUNDS CCNA1, MKI67, CCNT1 KDM4E 2796/4885L3MBTL1 1207/4885RECQL 1628/4885
US-20070207999-A1 New Compounds CCNA1, MKI67, CCNT1 KDM4E 3005/4885L3MBTL1 1771/4885RECQL 901/4885

“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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