SCHEMBL19002890

SCHEMBL19002890

CC(=O)c1ccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.77
GAA P10253 4/20 0.72
TSHR P16473 1/20 0.72
HSD17B10 Q99714 1/20 0.72
ALDH1A1 P00352 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PARP1 P09874 4/20 0.59
HTR1A P08908 3/20 0.58
HTR7 P34969 3/20 0.58
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PARP2 Q9UGN5 1/20 0.55

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
SCHEMBL3394834 0.88 DRD4 (0.84) DRD4GAATSHRHSD17B10ALDH1A1
SCHEMBL13281133 0.87 DRD4 (1.00) DRD4GAATSHRHSD17B10ALDH1A1
SCHEMBL3400090 0.83 DRD4 (0.77) DRD4GAATSHRHSD17B10ALDH1A1
SCHEMBL29111343 0.83 GAA (0.61) DRD4GAATSHRHSD17B10ALDH1A1
SCHEMBL14585685 0.82 GAA (0.78) DRD4GAATSHRHSD17B10ALDH1A1
SCHEMBL3394699 0.82 GAA (0.74) DRD4GAATSHRHSD17B10ALDH1A1
SCHEMBL3399978 0.80 DRD4 (1.00) DRD4GAATSHRHSD17B10ALDH1A1
SCHEMBL3400261 0.80 DRD4 (0.77) DRD4GAATSHRHSD17B10ALDH1A1
SCHEMBL22639886 0.79 GAA (0.73) DRD4GAATSHRHSD17B10ALDH1A1
SCHEMBL3397598 0.78 DRD4 (0.78) DRD4GAATSHRHSD17B10ALDH1A1

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-10668076-B1 Compositions and methods of targeting mutant K-Ras NANTBIO, INC. (US) 2020-06-02 US disclosed
US-9687491-B1 Compositions and methods of targeting mutant K-Ras NANTBIOSCIENCE, INC. (US) 2017-06-27 US disclosed
US-9687491-B1 Compositions and methods of targeting mutant K-Ras NANTBIOSCIENCE, INC. (US) 2017-06-27 US disclosed
US-9687491-B1 Compositions and methods of targeting mutant K-Ras NANTBIOSCIENCE, INC. (US) 2017-06-27 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 (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-10668076-B1 Compositions and methods of targeting mutant K-Ras KRAS, NRAS, HRAS DRD4 4580/4885GAA 2670/4885TSHR 3932/4885

“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.