SCHEMBL2418976

SCHEMBL2418976

O=C(c1ncc[nH]1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.44
RAB9A P51151 3/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACKR3 P25106 1/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SRD5A2 P31213 1/20 0.35
HTT P42858 1/20 0.35
TLK2 Q86UE8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2425813 0.98 JAK3 (0.47) JAK3RAB9AKMT2ANPC1ALDH1A1
SCHEMBL26917154 0.96 KMT2A (0.42) JAK3RAB9AKMT2ANPC1ALDH1A1
SCHEMBL2425503 0.92 KMT2A (0.45) JAK3RAB9AKMT2ANPC1ALDH1A1
Bromide SCHEMBL6990879 0.84 HRH3 (0.47) JAK3RAB9AKMT2ANPC1GLA
SCHEMBL6988822 0.82 HTR1F (0.41) JAK3RAB9AKMT2ANPC1ACKR3
SCHEMBL26916539 0.77 KMT2A (0.40) RAB9AKMT2ANPC1GLASMN1; SMN2
SCHEMBL11045929 0.76 JAK3 (0.47) JAK3RAB9AKMT2ANPC1ACKR3
SCHEMBL2424944 0.75 ALDH1A1 (0.42) RAB9AKMT2ANPC1ALDH1A1CYP2C9
SCHEMBL2421717 0.74 MMP9 (0.43) RAB9AKMT2ANPC1ALDH1A1
SCHEMBL11878066 0.74 SMN1; SMN2 (0.58) RAB9AKMT2ANPC1ALDH1A1CYP1A2

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 39 patents — showing the first 20. 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
US-7550607-B2 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses AUSPEX PHARMACEUTICAL, INC. (US) 2009-06-23 US disclosed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP disclosed
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US disclosed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
US-6150532-A OXAZOLE COMPOUNDS WITH UNSATURATED ACID OR ESTER GROUPS AS ENZYME INHIBITORS MJALLI ADNAN (US) 2000-11-21 US disclosed
US-5965558-A 2 OR 2,3-DI((2-CARBOXYETHYLENEARYL)QUINOXALINES; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; UNITS INCLUDING PROTEIN TYROSINE PHOSPHATASES AND PROTEINS WITH SRC-HOMOLOGY-2 DOMAINS; ANTIDIABETICS,-ALLERGENS,-COAGULANTS ONTOGEN CORPORATION (US) 1999-10-12 US disclosed
EP-0946518-A1 MODULATORS OF PROTEINS WITH PHOSPHOTYROSINE RECOGNITION UNITS ONTOGEN CORPORATION (US) 1999-10-06 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1998027065-A1 MODULATORS OF PROTEINS WITH PHOSPHOTYROSINE RECOGNITION UNITS ONTOGEN CORPORATION (US) 1998-06-25 WO disclosed
US-5753687-A ACRYLATED ARYLIMIDAZOLE DERIVATIVES ONTOGEN CORPORATION (US) 1998-05-19 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-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 JAK3 1111/4885RAB9A 2869/4885KMT2A 2250/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 JAK3 2145/4885RAB9A 1188/4885KMT2A 2741/4885

“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.