SCHEMBL2425813

SCHEMBL2425813

O=C(c1ncc[nH]1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.47
RAB9A P51151 3/20 0.45
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SRD5A2 P31213 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACKR3 P25106 1/20 0.37
TLK2 Q86UE8 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAPT P10636 1/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2418976 0.98 JAK3 (0.44) JAK3RAB9AKMT2ANPC1ALDH1A1
SCHEMBL26917154 0.95 KMT2A (0.42) JAK3RAB9AKMT2ANPC1ALDH1A1
SCHEMBL2425503 0.91 KMT2A (0.45) JAK3RAB9AKMT2ANPC1ALDH1A1
Bromide SCHEMBL6990879 0.83 HRH3 (0.47) JAK3RAB9AKMT2ANPC1GLA
SCHEMBL6988822 0.80 HTR1F (0.41) JAK3RAB9AKMT2ANPC1ACKR3
SCHEMBL11045929 0.79 JAK3 (0.47) JAK3RAB9AKMT2ANPC1ACKR3
SCHEMBL26916539 0.76 KMT2A (0.40) RAB9AKMT2ANPC1GLASMN1; SMN2
SCHEMBL3835258 0.75 KMT2A (0.41) RAB9AKMT2ANPC1ALDH1A1ACKR3
SCHEMBL2428253 0.75 MMP9 (0.46) RAB9ANPC1ALDH1A1NPSR1MAPT
SCHEMBL22904365 0.75 MMP9 (0.46) RAB9ANPC1ALDH1A1NPSR1MAPT

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-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 WO disclosed
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 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-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 JAK3 1111/4885RAB9A 2869/4885KMT2A 2250/4885

“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.