SCHEMBL5748520

SCHEMBL5748520

CCc1cccc2cccc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.46
JAK2 O60674 1/20 0.46
RPS6KA3 P51812 1/20 0.46
MELK Q14680 1/20 0.46
STK24 Q9Y6E0 1/20 0.46
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
PARP1 P09874 1/20 0.40
TYMS P04818 2/20 0.39
CYP3A4 P08684 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KEAP1 Q14145 1/20 0.38
CYP1B1 Q16678 2/20 0.37
PIK3CA P42336 1/20 0.37
NSD2 O96028 1/20 0.37
CASP6 P55212 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL3244580 0.84 GABRA1 (0.52) ELANEGABRA1GABRB2CYP3A4TSHR
SCHEMBL23458072 0.82 JAK2 (0.42) ELANEJAK2RPS6KA3MELKSTK24
Pyrene SCHEMBL5678493 0.80 ALDH1A1 (0.41) ELANEJAK2RPS6KA3MELKSTK24
SCHEMBL28950690 0.78 ALDH1A1 (0.43) JAK2RPS6KA3MELKSTK24TYMS
SCHEMBL15345342 0.78 GABRA1 (0.43) ELANEGABRA1GABRB2CYP3A4TSHR
SCHEMBL5747254 0.77 TLR8 (0.46) PARP1
SCHEMBL5750870 0.77 TLR8 (0.46) PARP1
SCHEMBL24697343 0.77 GABRA1 (0.44) ELANEGABRA1GABRB2PARP1ALDH1A1
SCHEMBL5746445 0.77 TLR8 (0.46) PARP1
Alcohol SCHEMBL28357303 0.77 JAK2 (0.44) JAK2RPS6KA3MELKSTK24PARP1

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-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 US disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 US disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP 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-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF KRAS, NRAS, HRAS ELANE 1677/4885JAK2 990/4885RPS6KA3 1079/4885

“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.