SCHEMBL13575475

SCHEMBL13575475

Nc1ccc(C(=O)N2CCC(N)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.61
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
L3MBTL3 Q96JM7 8/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
MBTD1 Q05BQ5 4/20 0.53
TP53BP1 Q12888 1/20 0.53
L3MBTL4 Q8NA19 1/20 0.53
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
EPHX1 P07099 1/20 0.49
HSD11B1 P28845 1/20 0.49

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
SCHEMBL1136719 0.93 L3MBTL3 (0.59) MGLLCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL1136918 0.91 L3MBTL3 (0.58) MGLLCA12CA1CA2CA7
Bromide SCHEMBL1136932 0.91 L3MBTL3 (0.58) MGLLCA12CA1CA2CA7
SCHEMBL31267062 0.89 MGLL (0.61) MGLLCA12CA1CA2CA7
SCHEMBL23775674 0.86 MGLL (0.59) MGLLCA12CA1CA2CA7
SCHEMBL3001302 0.86 MGLL (0.61) MGLLCA12CA1CA2CA7
SCHEMBL20261717 0.85 CA12 (0.73) MGLLCA12CA1CA2CA7
SCHEMBL647507 0.84 MGLL (0.69) MGLLCA12CA1CA2CA7
SCHEMBL12156431 0.84 ACHE (0.70) MGLLCA12CA1CA2CA7
SCHEMBL4399941 0.84 HSD11B1 (0.69) MGLLCA12CA1CA2CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-30 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 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 (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-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof CDK3, CDK1, CDK14 MGLL 3296/4885CA12 3991/4885CA1 3255/4885
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDKL4, CDKL5, PIP5K1A MGLL 1129/4885CA12 4677/4885CA1 3514/4885

“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.