SCHEMBL30898401

SCHEMBL30898401

O=C(OCc1ccccc1)N1CC[C@H](c2nc(Br)c3c(Cl)ncnn23)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.46
JAK1 P23458 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
USP30 Q70CQ3 1/20 0.44
CYP2C19 P33261 1/20 0.43
PDE4B Q07343 1/20 0.43
GRIN2B Q13224 5/20 0.42
TYK2 P29597 4/20 0.42
JAK3 P52333 4/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.40
TRPC3 Q13507 1/20 0.40
TRPC7 Q9HCX4 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL29854457 0.90 JAK2 (0.47) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL28628199 0.85 TNK2 (0.48) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL28628197 0.85 TNK2 (0.48) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL28722982 0.85 JAK2 (0.46) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL21056239 0.85 JAK2 (0.46) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL27188701 0.83 TNK2 (0.35)
SCHEMBL27188702 0.83 TNK2 (0.35)
SCHEMBL14654246 0.80 JAK2 (0.47) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL26791385 0.80 TNK2 (0.47) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL29854441 0.79 SMN1; SMN2 (0.44) JAK2JAK1SMN1; SMN2NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109896-A1 FGFR KINASE INHIBITOR AND USE THEREOF YA THERAPEUTICS INC (CN) 2024-04-04 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-20240109896-A1 FGFR KINASE INHIBITOR AND USE THEREOF FGFR1, FGFR2, FGFR3 JAK2 11/4885JAK1 17/4885SMN1; SMN2 2834/4885

“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.