SCHEMBL20093477

SCHEMBL20093477

Nc1cccc(NC(=O)C2CCC(N)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
DDX3X O00571 1/20 0.57
ULK1 O75385 1/20 0.56
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMYD3 Q9H7B4 1/20 0.53
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51
BTK Q06187 1/20 0.51
MAPK1 P28482 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 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
SCHEMBL4230443 0.94 DDX3X (0.65) GAASMN1; SMN2USP2LMNAHPGD
SCHEMBL12825257 0.87 NPSR1 (0.65) GAASMN1; SMN2USP2LMNAHPGD
SCHEMBL1242082 0.87 NPSR1 (0.69) GAASMN1; SMN2USP2LMNAHPGD
SCHEMBL20332958 0.86 ALDH1A1 (0.68) SMN1; SMN2USP2LMNAHPGDDDX3X
SCHEMBL4218895 0.86 ALDH1A1 (0.68) SMN1; SMN2USP2LMNAHPGDDDX3X
SCHEMBL13716767 0.84 GAA (0.56) GAASMN1; SMN2USP2LMNAHPGD
SCHEMBL3211109 0.83 GAA (0.72) GAASMN1; SMN2USP2LMNAHPGD
SCHEMBL3211102 0.83 GAA (0.72) GAASMN1; SMN2USP2LMNAHPGD
SCHEMBL31609680 0.81 MTNR1A (0.72) GAASMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL12825253 0.81 ALDH1A1 (0.54) GAASMN1; SMN2USP2LMNAHPGD

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 2 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

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 GAA 4222/4885SMN1; SMN2 1640/4885USP2 1925/4885
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDKL4, CDKL5, PIP5K1A GAA 3551/4885SMN1; SMN2 2185/4885USP2 2009/4885

“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.