SCHEMBL21473853

SCHEMBL21473853

CCCC(CCC)c1ccnc(N2CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.49
PLD1 Q13393 1/20 0.45
NMT1 P30419 7/20 0.43
HRH4 Q9H3N8 4/20 0.43
DYRK1A Q13627 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAOB P27338 1/20 0.40
HTR6 P50406 1/20 0.40
AOC3 Q16853 1/20 0.40
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
METAP2 P50579 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL21475674 0.95 ADRB1 (0.47) ADRB1PLD1NMT1HRH4DYRK1A
SCHEMBL18500387 0.89 ADRB1 (0.51) ADRB1PLD1NMT1HRH4DYRK1A
SCHEMBL24067234 0.83 ADRB1 (0.46) ADRB1PLD1NMT1HRH4DYRK1A
SCHEMBL13428642 0.81 ADRB1 (0.55) ADRB1PLD1NMT1HRH4DYRK1A
Hydrochloric Acid SCHEMBL31061321 0.80 ADRB1 (0.54) ADRB1PLD1NMT1HRH4DYRK1A
SCHEMBL8251254 0.78 ADRB1 (0.52) ADRB1PLD1NMT1HRH4DYRK1A
SCHEMBL18574083 0.78 ADRB1 (0.52) ADRB1PLD1NMT1HRH4DYRK1A
SCHEMBL13536716 0.78 ADRB1 (0.59) ADRB1PLD1NMT1HRH4DYRK1A
SCHEMBL31061236 0.78 ADRB1 (0.59) ADRB1PLD1NMT1HRH4DYRK1A
SCHEMBL23630383 0.76 PIK3CA (0.48) ADRB1PLD1NMT1AOC3

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-10913730-B2 Heteroaryl compounds and their use as Mer inhibitors DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2021-02-09 US disclosed
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A ST CO., LTD. (KR) 2019-10-17 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-10913730-B2 Heteroaryl compounds and their use as Mer inhibitors MERTK, RET, ERBB4 ADRB1 198/4885PLD1 3285/4885NMT1 2614/4885
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB4 ADRB1 198/4885PLD1 3285/4885NMT1 2614/4885

“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.