SCHEMBL6028446

SCHEMBL6028446

O=C1NCc2c(F)ccc(F)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 2/20 0.40
MAP3K11 Q16584 2/20 0.40
TYK2 P29597 3/20 0.38
JAK3 P52333 2/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
GLI1 P08151 1/20 0.38
GLI2 P10070 1/20 0.38
CDK4 P11802 1/20 0.38
PRKCA P17252 1/20 0.38
CTRB1 P17538 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
CCND1 P24385 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38

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
SCHEMBL31158640 1.00 MAP3K9 (0.40) MAP3K9MAP3K11TYK2JAK3PRKD3
SCHEMBL22663398 0.84 PIM1 (0.49) MAP3K9MAP3K11TYK2JAK3PRKD3
SCHEMBL8178485 0.84 MAP3K9 (0.36) MAP3K9MAP3K11TYK2JAK3PRKD3
SCHEMBL3046642 0.84 MAP3K9 (0.36) MAP3K9MAP3K11TYK2JAK3PRKD3
SCHEMBL2527674 0.84 KDR (0.38) MAP3K9MAP3K11TYK2JAK3PRKD3
SCHEMBL30661951 0.79 PARP10 (0.41) LRRK2PARP1
SCHEMBL30661949 0.79 PARP10 (0.41) LRRK2PARP1
SCHEMBL26622080 0.79 PARP10 (0.41) LRRK2PARP1
SCHEMBL30775227 0.77 PDE3B (0.45) MAP3K9MAP3K11TYK2PIM1ROCK1
SCHEMBL29657095 0.74 GRM2 (0.34) MAP3K9MAP3K11TYK2JAK3PRKD3

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
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 MAP3K9 1532/4885MAP3K11 1387/4885TYK2 2434/4885

“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.