SCHEMBL30009593

SCHEMBL30009593

S=C(Nc1ccc(-c2ncnc3[nH]ccc23)cc1)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 8/20 0.50
LMNA P02545 6/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALOX12 P18054 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
PTPN7 P35236 2/20 0.48
RECQL P46063 1/20 0.48
DUSP3 P51452 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL30008743 0.81 KIT (0.57) CYP3A4CITJAK2ROCK2CYP3A5
SCHEMBL20918128 0.78 JAK1 (0.72) RAB9AMAPTNPC1
SCHEMBL30008969 0.77 JAK1 (0.58) RAB9AMAPTNPC1KMT2AALDH1A1
SCHEMBL29291567 0.75 CIT (0.57) CYP3A4CITJAK2ROCK2CYP3A5
SCHEMBL30009899 0.75 JAK1 (0.59) MAPTALOX12KMT2AALDH1A1GAA
SCHEMBL28756963 0.74 SMN1; SMN2 (0.83) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL30009446 0.73 JAK1 (0.61) MAPTSMN1; SMN2LMNANPSR1MEN1
SCHEMBL28871098 0.73 CIT (0.63) CYP3A4CITJAK2ROCK2CYP3A5
SCHEMBL30008799 0.73 KIT (0.55) CITJAK2LIMK1
SCHEMBL13695633 0.71 HPGDS (0.46) LMNAALDH1A1HTTJAK2HPGDS

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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 US claimed
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor MAP3K20, MAP3K15, MAP3K1 RAB9A 808/4885MAPT 1506/4885NPC1 1715/4885

“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.